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CHEBI:80879 - Ophiopogonin B

ChEBI IDCHEBI:80879
ChEBI NameOphiopogonin B
Stars
DownloadsMolfile
FormulaC39H62O12
Net Charge0
Average Mass722.913
Monoisotopic Mass722.42413
SMILES[H][C@@]12CC=C3C[C@@H](O)C[C@@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CC[C@@H](C)CO3)[C@@H](C)[C@]12[H]
InChIInChI=1S/C39H62O12/c1-17-9-12-39(46-16-17)18(2)28-26(51-39)15-25-23-8-7-21-13-22(40)14-27(38(21,6)24(23)10-11-37(25,28)5)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h7,17-20,22-36,40-45H,8-16H2,1-6H3/t17-,18+,19+,20-,22-,23-,24+,25+,26+,27-,28+,29+,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-/m1/s1
InChIKeyOWGURJWJHWYCIQ-AKYREZHBSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Ophiopogonin B (CHEBI:80879) is a steroid saponin (CHEBI:61655)
Manual XrefsDatabases
C17038KEGG COMPOUND
Registry NumbersSources
CAS:38971-41-4KEGG COMPOUND