CHEBI:228049 - Anthcolorin H

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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 H
ChEBI ID CHEBI:228049
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H39NO3
Net Charge 0
Average Mass 437.624
Monoisotopic Mass 437.29299
InChI InChI=1S/C28H39NO3/c1-18(2)9-8-15-27(5)23-13-12-20(19(3)26(23,4)16-14-24(27)30)17-28(32)21-10-6-7-11-22(21)29-25(28)31/h6-7,9-11,20,23-24,30,32H,3,8,12-17H2,1-2,4-5H3,(H,29,31)/t20-,23+,24-,26+,27-,28+/m0/s1
InChIKey SCPUIZTZSZKTIJ-SLUGVUFSSA-N
SMILES O=C1NC=2C=CC=CC2[C@]1(O)C[C@H]3C(=C)[C@@]4([C@H]([C@@]([C@@H](O)CC4)(CCC=C(C)C)C)CC3)C
Metabolite of Species Details
Aspergillus versicolor (NCBI:txid46472) See: DOI
ChEBI Ontology
Outgoing Anthcolorin H (CHEBI:228049) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3R)-3-[[(2S,4aR,5S,6S,8aS)-6-hydroxy-5,8a-dimethyl-1-methylidene-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-3-hydroxy-1H-indol-2-one
Manual Xref Database
78429115 ChemSpider
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