CHEBI:172857 - Saponin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Saponin D
ChEBI ID CHEBI:172857
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H78O17
Net Charge 0
Average Mass 927.135
Monoisotopic Mass 926.52390
InChI InChI=1S/C48H78O17/c1-21(2)16-24-17-46(9,65-41-37(57)34(54)31(51)23(4)60-41)39-25-10-11-28-44(7)14-13-29(43(5,6)27(44)12-15-45(28,8)47(25)19-48(39,64-24)58-20-47)62-42-38(35(55)32(52)26(18-49)61-42)63-40-36(56)33(53)30(50)22(3)59-40/h16,22-42,49-57H,10-15,17-20H2,1-9H3
InChIKey FJESIUXDUUJRCG-UHFFFAOYSA-N
SMILES O1C23OC(CC(OC4OC(C(O)C(O)C4O)C)(C3C5C(C6(C(C7(C(CC6)C(C(OC8OC(C(O)C(O)C8OC9OC(C(O)C(O)C9O)C)CO)CC7)(C)C)C)CC5)C)(C2)C1)C)C=C(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Saponin D (CHEBI:172857) is a triterpenoid (CHEBI:36615)
IUPAC Name
2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[[2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-16-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Manual Xref Database
HMDB0040468 HMDB
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