MangroveNP v0.6
勘误 / Errata
中文
1. v0.5 冻结后发现的勘误
论文所用 v0.5 冻结后，对公开层记录做了针对性的结构–名称复查，并将来源报道的分子式与由结构计算的分子式做了系统比对。由此发现 14 条公开层记录的结构与原始文献不符；另有 1 条随后撤回：原文为 GC-MS 谱库匹配，所列名称是氘代标记物，不是从样品中分离鉴定的化合物（具体原因见勘误表）。这 15 条记录已从 v0.6 公开层移除：
- 公开层规模：6,249 条记录 / 5,783 个唯一 InChIKey（v0.5）→ 6,234 条记录 / 5,773 个唯一 InChIKey（v0.6），即 −15 条记录 / −10 个唯一 InChIKey。
- v0.5 冻结版本身不改动；其主要计数保持不变。
- 撤回的记录保留墓碑页：旧链接仍能打开，并说明撤回原因；记录号不再复用。
2. 勘误表
下表逐条列出被移除的记录：记录号、化合物名称、在 v0.6 中撤回，以及撤回原因（中性描述）。
| 记录号 | 化合物名称 | 撤回版本 | 撤回原因 |
|---|---|---|---|
| mangrove-3256 | METHYL-7,8-DIDEUTERO-7-NONENOATE | v0.6 | 原文为 GC-MS 谱库匹配结果，所列名称为氘代标记物，不是从样品中分离鉴定的化合物，因此该结构已从公开层撤回。 |
| mangrove-4004 | 1,4-Diaza-2,5-dioxo-3-isobutyl bicyclo[4.3.0]nonane | v0.6 | 该记录按名称匹配的候选结构与原文分子式（C11H18N2O2）及名称所描述的环系均不一致，因此该结构已从公开层撤回。 |
| mangrove-4077 | Ergosterol 5,8-endoperoxide | v0.6 | 该记录按名称匹配的候选结构与所命名的化合物（ergosterol 5,8-endoperoxide）不一致，因此该结构已从公开层撤回。 |
| mangrove-7301 | Feruloyl Lactate | v0.6 | 该记录由名称转换得到的候选结构与名称（feruloyl lactate）所描述的连接方式不一致，因此该结构已从公开层撤回。 |
| mangrove-7634 | Moluccensin H | v0.6 | 该记录按名称匹配的候选结构与原文分子式（C36H44O11）不一致，因此该结构已从公开层撤回。 |
| mangrove-7635 | Moluccensin I | v0.6 | 原文称该化合物与 moluccensin H 分子式相同（C36H44O11），而该记录按名称匹配的候选结构与该分子式不符，因此该结构已从公开层撤回。 |
| mangrove-7636 | Moluccensin J | v0.6 | 原文称该化合物与 moluccensin H 分子式相同（C36H44O11），而该记录按名称匹配的候选结构与该分子式不符，因此该结构已从公开层撤回。 |
| mangrove-7750 | Ferrioxamine B | v0.6 | 原文所列分子式含铁，而该记录按名称匹配的候选结构不能代表该铁配合物，因此该结构已从公开层撤回。 |
| mangrove-7759 | Desferrioxamine H | v0.6 | 该记录按名称匹配的候选结构与原文分子式（C26H46N6O9）不一致，因此该结构已从公开层撤回。 |
| mangrove-7760 | Ferrioxamine E | v0.6 | 原文所列分子式含铁，而该记录按名称匹配的候选结构不能代表该铁配合物，因此该结构已从公开层撤回。 |
| mangrove-7920 | PC-2 | v0.6 | 该记录按名称匹配的候选结构不能代表原文所命名的化合物（PC-2），因此该结构已从公开层撤回。 |
| mangrove-8766 | Phosphatidylglycerol | v0.6 | 原文仅将磷脂酰甘油作为一类极性脂质报道，而该记录的候选结构不能代表该类化合物，因此该结构已从公开层撤回。 |
| mangrove-9441 | Salvianolic acid G | v0.6 | 原文分子式（C20H18O10）与该记录按名称匹配的候选结构不一致，因此该结构已从公开层撤回。 |
| mangrove-9626 | 2-hydroxyisoflavanone naringenin | v0.6 | 原文分子式与该记录的候选结构不一致；由名称转换结构时遗漏了 2-hydroxyisoflavanone（2-羟基异黄烷酮）部分，因此该结构已从公开层撤回。 |
| mangrove-10338 | Isomeric dihydro-methyl-furanone | v0.6 | 原文分子式与该记录按名称匹配的候选结构不一致，该候选结构源自含义不明确的名称，因此该结构已从公开层撤回。 |
3. 旧链接
指向已撤回记录的 v0.5 旧链接将打开一个说明页，显示记录号、化合物名称、撤回版本和撤回原因（中英文）；说明页不显示结构、结构图、SMILES、InChIKey 或分子式，并标记为不被搜索引擎收录。
4. 结构提示标记（不是勘误）
v0.6 公开层中有 19 条记录带有结构提示标记（structure_caution）。这些记录不是勘误，仍保留在公开层中；标记只提示原文信息不足以唯一确定结构，使用时请结合原始文献：
ambiguous_name：该记录结构由名称推断，原文不足以唯一确定。demoted_annotation：该记录结构由名称推断，取代基位置或异构体无法由原文确定，仅供参考。
5. 其他更正
不涉及结构撤回的其他更正（例如原文分子式录入更正）见"更新日志"页。
6. 报告问题
如发现可能的错误：纠错渠道即将公布；告知时请注明记录号、InChIKey 与问题说明。
English
1. Errata found after the v0.5 freeze
After the v0.5 freeze (the release used in the paper), public-layer records were re-examined in a targeted structure–name audit, and source-reported molecular formulas were systematically compared with the formulas computed from the structures. This identified 14 public-layer records whose structures do not match the original publications; one further record was withdrawn subsequently: the source reports a GC-MS library match, and the listed name is a deuterium-labelled compound, not a compound isolated and identified from the sample (see the errata table for the specific reason). These 15 records have been removed from the v0.6 public layer:
- Public layer: 6,249 records / 5,783 unique InChIKeys (v0.5) → 6,234 records / 5,773 unique InChIKeys (v0.6), that is −15 records / −10 unique InChIKeys.
- The frozen v0.5 release itself is not changed; its headline counts stay the same.
- Withdrawn records keep a tombstone page: old links still open and state the reason for withdrawal, and record numbers are not reused.
2. Errata table
The table below lists each removed record: record ID, compound name, withdrawn in v0.6, and the reason for withdrawal (neutral wording).
| Record ID | Compound name | Withdrawn in | Reason |
|---|---|---|---|
| mangrove-3256 | METHYL-7,8-DIDEUTERO-7-NONENOATE | v0.6 | The source reports a GC-MS spectral-library match; the listed name is a deuterium-labelled compound, not a compound isolated and identified from the sample, so the structure is withdrawn from the public layer. |
| mangrove-4004 | 1,4-Diaza-2,5-dioxo-3-isobutyl bicyclo[4.3.0]nonane | v0.6 | The record's name-matched candidate structure does not match the source formula (C11H18N2O2) or the ring system described by the name, so the structure is withdrawn from the public layer. |
| mangrove-4077 | Ergosterol 5,8-endoperoxide | v0.6 | The record's name-matched candidate structure does not match the named compound (ergosterol 5,8-endoperoxide), so the structure is withdrawn from the public layer. |
| mangrove-7301 | Feruloyl Lactate | v0.6 | The record's candidate structure, produced by converting the name to a structure, does not match the linkage described in the name (feruloyl lactate), so the structure is withdrawn from the public layer. |
| mangrove-7634 | Moluccensin H | v0.6 | The record's name-matched candidate structure does not match the source formula (C36H44O11), so the structure is withdrawn from the public layer. |
| mangrove-7635 | Moluccensin I | v0.6 | The source states that this compound has the same molecular formula as moluccensin H (C36H44O11), and the record's name-matched candidate structure does not match this formula, so the structure is withdrawn from the public layer. |
| mangrove-7636 | Moluccensin J | v0.6 | The source states that this compound has the same molecular formula as moluccensin H (C36H44O11), and the record's name-matched candidate structure does not match this formula, so the structure is withdrawn from the public layer. |
| mangrove-7750 | Ferrioxamine B | v0.6 | The molecular formula listed in the source includes iron, but the record's name-matched candidate structure does not represent the iron complex, so the structure is withdrawn from the public layer. |
| mangrove-7759 | Desferrioxamine H | v0.6 | The record's name-matched candidate structure does not match the source formula (C26H46N6O9), so the structure is withdrawn from the public layer. |
| mangrove-7760 | Ferrioxamine E | v0.6 | The molecular formula listed in the source includes iron, but the record's name-matched candidate structure does not represent the iron complex, so the structure is withdrawn from the public layer. |
| mangrove-7920 | PC-2 | v0.6 | The record's name-matched candidate structure does not represent the compound named in the source text (PC-2), so the structure is withdrawn from the public layer. |
| mangrove-8766 | Phosphatidylglycerol | v0.6 | The source text reports phosphatidylglycerol only as a class of polar lipids, and the record's candidate structure does not represent this compound class, so the structure is withdrawn from the public layer. |
| mangrove-9441 | Salvianolic acid G | v0.6 | The source formula (C20H18O10) does not match the record's name-matched candidate structure, so the structure is withdrawn from the public layer. |
| mangrove-9626 | 2-hydroxyisoflavanone naringenin | v0.6 | The source formula does not match the record's candidate structure; the name-to-structure conversion omitted the 2-hydroxyisoflavanone moiety, so the structure is withdrawn from the public layer. |
| mangrove-10338 | Isomeric dihydro-methyl-furanone | v0.6 | The source formula does not match the record's name-matched candidate structure, which was derived from an ambiguous name, so the structure is withdrawn from the public layer. |
3. Old links
An old v0.5 link to a withdrawn record opens a notice page showing the record ID, the compound name, the release in which it was withdrawn and the reason (Chinese and English); the notice page does not show any structure, structure image, SMILES, InChIKey or formula, and is marked not to be indexed by search engines.
4. Structure caution flags (not errata)
In the v0.6 public layer, 19 records carry a structure caution flag (structure_caution). These records are not errata and remain in the public layer; the flag only indicates that the original publication is not sufficient to determine the structure uniquely. Please consult the original publication when using them:
ambiguous_name: the structure was inferred from the compound name and the original publication is not sufficient to determine it uniquely.demoted_annotation: the structure was inferred from the compound name and the substituent position or isomer cannot be determined from the original publication, so it should be treated as indicative only.
5. Other corrections
Other corrections that do not withdraw a structure (for example a corrected transcription of a source molecular formula) are listed on the Changelog page.
6. Report a problem
If you find a possible error: the correction channel is coming soon; when telling us, please give the record ID, InChIKey and a description.
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