CHEBI:212907 - Anandin A

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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 Anandin A
ChEBI ID CHEBI:212907
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H35NO2
Net Charge 0
Average Mass 357.538
Monoisotopic Mass 357.26678
InChI InChI=1S/C23H35NO2/c1-15(2)16(3)6-7-17(4)19-8-9-20-18-14-22(26)24(12-13-25)21(18)10-11-23(19,20)5/h6-7,10,14-17,19-20,25H,8-9,11-13H2,1-5H3/b7-6+/t16-,17+,19+,20-,23+/m0/s1
InChIKey BSTAVZCXPLMHKH-GSDKABSXSA-N
SMILES O=C1N(C2=CC[C@]3([C@H](C2=C1)CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)CCO
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Anandin A (CHEBI:212907) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(5aR,6R,8aR)-6-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3-(2-hydroxyethyl)-5a-methyl-6,7,8,8a-tetrahydro-5H-cyclopenta[e]indol-2-one
Manual Xref Database
62816301 ChemSpider
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