CHEBI:198249 - Anthcolorin E

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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 E
ChEBI ID CHEBI:198249
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H49NO4
Net Charge 0
Average Mass 523.758
Monoisotopic Mass 523.36616
InChI InChI=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
InChIKey FHMUMBXUKWMPHG-NWWFIIQASA-N
SMILES O=C1N(C=2C=CC=CC2[C@H]1C[C@H]3C(=C)[C@@]4([C@H]([C@@]([C@@H](O)CC4)(CC[C@H](O)C(O)(C)C)C)CC3)C)C(C=C)(C)C
Metabolite of Species Details
Aspergillus versicolor (NCBI:txid46472) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
30770841 ChemSpider
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