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CHEBI:168805 - Bismahanine

ChEBI IDCHEBI:168805
ChEBI NameBismahanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H48N2O4
Net Charge0
Average Mass692.900
Monoisotopic Mass692.36141
SMILESCC(C)=CCCC1(C)C=Cc2c(c(C)cc3c2nc2cc(O)c(-c4c(O)ccc5c4nc4c6c(c(C)cc45)OC(C)(CCC=C(C)C)C=C6)cc23)O1
InChIInChI=1S/C46H48N2O4/c1-25(2)11-9-17-45(7)19-15-30-40-34(22-28(6)43(30)51-45)32-23-35(38(50)24-36(32)47-40)39-37(49)14-13-29-33-21-27(5)44-31(41(33)48-42(29)39)16-20-46(8,52-44)18-10-12-26(3)4/h11-16,19-24,47-50H,9-10,17-18H2,1-8H3
InChIKeyDUWZYYIUQUHQBX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Bismahanine (CHEBI:168805) is a carbazoles (CHEBI:48513)
IUPAC Name 
10-[9-hydroxy-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-8-yl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-9-ol
Manual XrefsDatabases
8502781ChemSpider
HMDB0040773HMDB