Dataset
Orientin
Chemical Info
InChI | InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1 |
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SMILES | OC[C@H]([C@@H](O)4)O[C@H]([C@H](O)[C@@H](O)4)c(c(O)3)c(O1)c(c(O)c3)C(=O)C=C(c(c2)cc(O)c(O)c2)1 |
InChI Key | PLAPMLGJVGLZOV-VPRICQMDSA-N |
Molecular Formula | C21H20O11 |
Exact Mass | 448.101 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00707 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:42:50.110889 |
MetadataModified | 2025-02-09T13:02:23.451968 |
MetadataPublished | 2016-01-19 |
Related Molecule |