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CHEBI:212915 - Anandin B

ChEBI IDCHEBI:212915
ChEBI NameAnandin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H37NO3
Net Charge0
Average Mass375.553
Monoisotopic Mass375.27734
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)N(CCO)[C@@]3(O)CC[C@]12C
InChIInChI=1S/C23H37NO3/c1-15(2)16(3)6-7-17(4)18-8-9-19-20-14-21(26)24(12-13-25)23(20,27)11-10-22(18,19)5/h6-7,14-19,25,27H,8-13H2,1-5H3/b7-6+/t16-,17+,18+,19-,22+,23+/m0/s1
InChIKeyPBLOCDCERMQMPR-VUDRLWBISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29125577)
ChEBI Ontology
Outgoing Relation(s)
Anandin B (CHEBI:212915) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3aR,5aR,6R,8aR)-6-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3a-hydroxy-3-(2-hydroxyethyl)-5a-methyl-4,5,6,7,8,8a-hexahydrocyclopenta[e]indol-2-one
Manual XrefsDatabases
62816302ChemSpider