CHEBI:145173 - 2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl hexopyranoside

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ChEBI Name 2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl hexopyranoside
ChEBI ID CHEBI:145173
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C33H54O12
Net Charge 0
Average Mass 642.783
Monoisotopic Mass 642.36153
InChI InChI=1S/C33H54O12/c1-29(2,41)9-8-24(45-28-27(40)26(39)25(38)22(15-34)44-28)32(5,42)23-7-11-33(43)17-12-19(35)18-13-20(36)21(37)14-30(18,3)16(17)6-10-31(23,33)4/h12,16,18,20-28,34,36-43H,6-11,13-15H2,1-5H3/t16-,18-,20+,21+,22+,23-,24+,25-,26-,27+,28+,30+,31+,32+,33?/m0/s1
InChIKey OYLAWXRQIJWVHG-PRYDOBOQSA-N
SMILES OC12[C@@]([C@](CC1)([C@@](O)([C@H](O[C@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)CCC(O)(C)C)C)[H])(CC[C@@]4([C@@]5([C@@](C[C@@H](O)[C@H](O)C5)(C(=O)C=C24)[H])C)[H])C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
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ChEBI Ontology
Outgoing 2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl hexopyranoside (CHEBI:145173) is a α-D-galactoside (CHEBI:46953)
2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl hexopyranoside (CHEBI:145173) is a steroid saponin (CHEBI:61655)
Synonym Source
Silenoside A SUBMITTER