CHEBI:200651 - Drimentine 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 Drimentine H
ChEBI ID CHEBI:200651
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C33H45N3O3
Net Charge 0
Average Mass 531.741
Monoisotopic Mass 531.34609
InChI InChI=1S/C33H45N3O3/c1-20(2)27-29(39)36-25(28(38)34(27)7)18-33(22-11-8-9-12-24(22)35(19-37)30(33)36)17-23-21(3)13-14-26-31(4,5)15-10-16-32(23,26)6/h8-9,11-12,19-20,23,25-27,30H,3,10,13-18H2,1-2,4-7H3/t23-,25-,26-,27-,30-,32+,33-/m0/s1
InChIKey ITMWMZIGMMDMQK-WHYFKYNSSA-N
SMILES O=C1N2[C@@H]3N(C=4C=CC=CC4[C@]3(C[C@H]5C(=C)CC[C@@H]6[C@@]5(CCCC6(C)C)C)C[C@H]2C(=O)N([C@H]1C(C)C)C)C=O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Drimentine H (CHEBI:200651) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1S,4S,7S,9S)-9-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-methyl-3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-16-carbaldehyde
Manual Xref Database
29416851 ChemSpider
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