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CHEBI:198930 - Citreoanthrasteroide B

ChEBI IDCHEBI:198930
ChEBI NameCitreoanthrasteroide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O
Net Charge0
Average Mass392.627
Monoisotopic Mass392.30792
SMILESCc1c2c(cc3c1C[C@@H](O)CC3)[C@@H]1CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)C=C2
InChIInChI=1S/C28H40O/c1-17(2)18(3)7-8-19(4)26-11-12-27-25-15-21-9-10-22(29)16-24(21)20(5)23(25)13-14-28(26,27)6/h7-8,13-15,17-19,22,26-27,29H,9-12,16H2,1-6H3/b8-7+/t18-,19+,22-,26+,27-,28+/m0/s1
InChIKeyGWOAMHMYCJRYMO-NIDOPEEVSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4020(00)00157-5)
ChEBI Ontology
Outgoing Relation(s)
Citreoanthrasteroide B (CHEBI:198930) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R,3aR,8S,11bR)-3-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3a,6-dimethyl-1,2,3,7,8,9,10,11b-octahydrocyclopenta[a]anthracen-8-ol
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9478916ChemSpider