CHEBI:201515 - Drimentine B

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ChEBI Name Drimentine B
ChEBI ID CHEBI:201515
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H39N3O2
Net Charge 0
Average Mass 485.672
Monoisotopic Mass 485.30423
InChI InChI=1S/C31H39N3O2/c1-19-12-13-25-29(2,3)14-8-15-30(25,4)21(19)17-31-18-24-26(35)33-16-7-11-23(33)27(36)34(24)28(31)32-22-10-6-5-9-20(22)31/h5-6,9-11,21,24-25,28,32H,1,7-8,12-18H2,2-4H3
InChIKey SUUCBHITXBJOGT-UHFFFAOYSA-N
SMILES O=C1N2C3NC=4C=CC=CC4C3(CC5C(=C)CCC6C5(CCCC6(C)C)C)CC2C(=O)N7C1=CCC7
ChEBI Ontology
Outgoing Drimentine B (CHEBI:201515) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1S,10S,12S)-12-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-4,13,15,17-tetraene-3,9-dione
Manual Xref Database
68004071 ChemSpider
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