CHEBI:212636 - Anthcolorin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Anthcolorin B
ChEBI ID CHEBI:212636
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C33H47NO3
Net Charge 0
Average Mass 505.743
Monoisotopic Mass 505.35559
InChI InChI=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
InChIKey QWTTYYHQARGNPV-GVFLWGQJSA-N
SMILES O=C1N(C=2C=CC=CC2[C@@H]1C[C@H]3C(=C)[C@@]4([C@H]([C@]5([C@@H](O[C@H](C(O)(C)C)CC5)CC4)C)CC3)C)C(C=C)(C)C
Metabolite of Species Details
Aspergillus versicolor (NCBI:txid46472) See: DOI
ChEBI Ontology
Outgoing Anthcolorin B (CHEBI:212636) is a organic heterotricyclic compound (CHEBI:26979)
Anthcolorin B (CHEBI:212636) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S)-3-[[(3S,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
Manual Xref Database
30770838 ChemSpider
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