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CHEBI:232630 - Methyl gambogate

Default Structure
ChEBI IDCHEBI:232630
ChEBI NameMethyl gambogate
Stars
Submitteramillett1
DownloadsMolfile
FormulaC39H46O8
Net Charge0
Average Mass642.789
Monoisotopic Mass642.31927
SMILESCOC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5O[C@]431)O[C@](C)(CCC=C(C)C)C=C6)C2=O
InChIInChI=1S/C39H46O8/c1-21(2)11-10-16-37(8)17-15-25-30(40)29-31(41)27-19-24-20-28-36(6,7)47-38(34(24)42,18-14-23(5)35(43)44-9)39(27,28)46-33(29)26(32(25)45-37)13-12-22(3)4/h11-12,14-15,17,19,24,28,40H,10,13,16,18,20H2,1-9H3/b23-14-/t24-,28+,37-,38+,39-/m1/s1
InChIKeyMFUIGIDUBRLELJ-ITGPLMSCSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl gambogate (CHEBI:232630) is a organic molecular entity (CHEBI:50860)