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CHEBI:211472 - Fendlerin B

ChEBI IDCHEBI:211472
ChEBI NameFendlerin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O8
Net Charge0
Average Mass520.663
Monoisotopic Mass520.30362
SMILESCOc1c(C)c(OC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)c(C(OC)OC)c2c1C(=O)O[C@@H]2OC
InChIInChI=1S/C29H44O8/c1-16-22(32-6)20-19(26(35-9)37-24(20)30)21(25(33-7)34-8)23(16)36-15-18-28(4)13-10-12-27(2,3)17(28)11-14-29(18,5)31/h17-18,25-26,31H,10-15H2,1-9H3/t17-,18+,26-,28-,29+/m0/s1
InChIKeyFFMYTMXOELNYRK-WVLUJZRMSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - PubMed (31476402)
ChEBI Ontology
Outgoing Relation(s)
Fendlerin B (CHEBI:211472) 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-(dimethoxymethyl)-3,7-dimethoxy-6-methyl-3H-2-benzouran-1-one