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CHEBI:218863 - Anthcolorin C

ChEBI IDCHEBI:218863
ChEBI NameAnthcolorin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H47NO3
Net Charge0
Average Mass505.743
Monoisotopic Mass505.35559
SMILESC=CC(C)(C)N1C(=O)[C@H](C[C@@H]2CC[C@H]3[C@]4(C)CC[C@H](C(C)(C)O)O[C@H]4CC[C@]3(C)C2=C)c2ccccc21
InChIInChI=1S/C33H47NO3/c1-9-30(3,4)34-25-13-11-10-12-23(25)24(29(34)35)20-22-14-15-26-32(7,21(22)2)18-17-28-33(26,8)19-16-27(37-28)31(5,6)36/h9-13,22,24,26-28,36H,1-2,14-20H2,3-8H3/t22-,24+,26+,27+,28-,32+,33-/m0/s1
InChIKeyQWTTYYHQARGNPV-QOTDWUPPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/j.tet.2013.04.011)
ChEBI Ontology
Outgoing Relation(s)
Anthcolorin C (CHEBI:218863) is a organic heterotricyclic compound (CHEBI:26979)
Anthcolorin C (CHEBI:218863) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R)-3-[[(3R,4aS,6aS,8S,10aR,10bS)-3-(2-hydroxypropan-2-yl)-6a,10b-dimethyl-7-methylidene-1,2,3,4a,5,6,8,9,10,10a-decahydrobenzo[]chromen-8-yl]methyl]-1-(2-methylbut-3-en-2-yl)-3H-indol-2-one
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