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CHEBI:223139 - 13-epi-higginsianin C

ChEBI IDCHEBI:223139
ChEBI Name13-epi-higginsianin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O5
Net Charge0
Average Mass444.612
Monoisotopic Mass444.28757
SMILESC=C1CC[C@@H]2[C@](C)(CC[C@H]3O[C@@H](C(C)(C)O)CC[C@@]23C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
InChIInChI=1S/C27H40O5/c1-15-8-9-20-26(6,19(15)14-18-23(28)16(2)17(3)31-24(18)29)12-11-22-27(20,7)13-10-21(32-22)25(4,5)30/h19-22,28,30H,1,8-14H2,2-7H3/t19-,20-,21-,22-,26-,27+/m1/s1
InChIKeyWJLHNBLWQUYSAS-VDCPFADWSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum higginsianum (ncbitaxon:80884) - PubMed (30776231)
ChEBI Ontology
Outgoing Relation(s)
13-epi-higginsianin C (CHEBI:223139) is a organic heterotricyclic compound (CHEBI:26979)
13-epi-higginsianin C (CHEBI:223139) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3-[[(3R,4aR,6aR,7R,10aR,10bS)-3-(2-hydroxypropan-2-yl)-6a,10b-dimethyl-8-methylidene-1,2,3,4a,5,6,7,9,10,10a-decahydrobenzo[]chromen-7-yl]methyl]-4-hydroxy-5,6-dimethylpyran-2-one
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128441891ChemSpider