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CHEBI:198249 - Anthcolorin E

ChEBI IDCHEBI:198249
ChEBI NameAnthcolorin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H49NO4
Net Charge0
Average Mass523.758
Monoisotopic Mass523.36616
SMILESC=CC(C)(C)N1C(=O)[C@H](C[C@@H]2CC[C@H]3[C@](C)(CC[C@H](O)C(C)(C)O)[C@@H](O)CC[C@]3(C)C2=C)c2ccccc21
InChIInChI=1S/C33H49NO4/c1-9-30(3,4)34-25-13-11-10-12-23(25)24(29(34)37)20-22-14-15-26-32(7,21(22)2)18-17-28(36)33(26,8)19-16-27(35)31(5,6)38/h9-13,22,24,26-28,35-36,38H,1-2,14-20H2,3-8H3/t22-,24+,26+,27-,28-,32+,33-/m0/s1
InChIKeyFHMUMBXUKWMPHG-NWWFIIQASA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/j.tet.2013.04.011)
ChEBI Ontology
Outgoing Relation(s)
Anthcolorin E (CHEBI:198249) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R)-3-[[(2S,4aR,5S,6S,8aS)-5-[(3S)-3,4-dihydroxy-4-methylpentyl]-6-hydroxy-5,8a-dimethyl-1-methylidene-3,4,4a,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-1-(2-methylbut-3-en-2-yl)-3H-indol-2-one
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30770841ChemSpider