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CHEBI:211444 - Fendlerin D

ChEBI IDCHEBI:211444
ChEBI NameFendlerin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H64O8
Net Charge0
Average Mass696.966
Monoisotopic Mass696.46012
SMILESCOc1c(C)c(OC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)c(C2OC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)O2)c2c1C(=O)O[C@H]2OC
InChIInChI=1S/C42H64O8/c1-24-32(45-10)30-29(35(46-11)49-34(30)43)31(33(24)47-22-27-39(6)18-12-16-37(2,3)25(39)14-20-41(27,8)44)36-48-23-28-40(7)19-13-17-38(4,5)26(40)15-21-42(28,9)50-36/h25-28,35-36,44H,12-23H2,1-11H3/t25-,26-,27+,28+,35+,36?,39-,40-,41+,42+/m0/s1
InChIKeyDDRZMJBEQHWAGT-XSSXHYASSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - PubMed (31476402)
ChEBI Ontology
Outgoing Relation(s)
Fendlerin D (CHEBI:211444) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3R)-4-[(4aR,6aS,10aS,10bS)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydronaphtho[2,1-d][1,3]dioxin-3-yl]-5-[[(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-3,7-dimethoxy-6-methyl-3H-2-benzouran-1-one