CHEBI:211674 - Cyathinin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cyathinin D
ChEBI ID CHEBI:211674
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H38O8
Net Charge 0
Average Mass 478.582
Monoisotopic Mass 478.25667
InChI InChI=1S/C26H38O8/c1-12(2)13-6-7-23(3)8-9-24(4)18(16(13)23)19(28)20(31-5)14-10-33-26(30)15(27)11-32-22-25(26,29)17(14)21(24)34-22/h10,12,15,17-22,27-30H,6-9,11H2,1-5H3/t15-,17-,18+,19-,20+,21+,22+,23-,24-,25+,26+/m1/s1
InChIKey AJLJAVRFWUUVNX-SDJLEFBYSA-N
SMILES O1C=C2[C@H](OC)[C@H](O)[C@@H]3C4=C(C(C)C)CC[C@]4(C)CC[C@]3([C@@H]5[C@@H]2[C@]6([C@]1(O)[C@H](O)CO[C@H]6O5)O)C
Metabolite of Species Details
Cyathus (NCBI:txid68776) See: DOI
ChEBI Ontology
Outgoing Cyathinin D (CHEBI:211674) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,2R,5R,10R,11R,12S,16S,17R,20S,21S,22R)-12-methoxy-2,5-dimethyl-8-propan-2-yl-15,19,23-trioxahexacyclo[18.2.1.02,10.05,9.013,22.016,21]tricosa-8,13-diene-11,16,17,21-tetrol
Manual Xref Database
78439209 ChemSpider
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