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CHEBI:211489 - Fendlerol A

ChEBI IDCHEBI:211489
ChEBI NameFendlerol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O7
Net Charge0
Average Mass476.610
Monoisotopic Mass476.27740
SMILESCOc1c(C)c(OC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)c(CO)c2c1C(=O)O[C@@H]2OC
InChIInChI=1S/C27H40O7/c1-15-21(16(13-28)19-20(22(15)31-6)23(29)34-24(19)32-7)33-14-18-26(4)11-8-10-25(2,3)17(26)9-12-27(18,5)30/h17-18,24,28,30H,8-14H2,1-7H3/t17-,18+,24-,26-,27+/m0/s1
InChIKeyBTLCBTSWQKNQJY-KVSQTDFZSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - PubMed (31476402)
ChEBI Ontology
Outgoing Relation(s)
Fendlerol A (CHEBI:211489) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S)-5-[[(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-4-(hydroxymethyl)-3,7-dimethoxy-6-methyl-3H-2-benzouran-1-one