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CHEBI:213098 - Soyasaponine I

ChEBI IDCHEBI:213098
ChEBI NameSoyasaponine I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC48H78O18
Net Charge0
Average Mass943.134
Monoisotopic Mass942.51882
SMILESCC1OC(OC2C(OC3C(OC4CC[C@@]5(C)C(CC[C@@]6(C)C7C(=CCC56)C5CC(C)(C)C[C@@H](O)[C@]5(C)C[C@@H]7C)[C@@]4(C)CO)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C48H78O18/c1-20-15-47(7)23(16-44(3,4)17-27(47)51)22-9-10-25-45(5)14-12-28(48(8,19-50)26(45)11-13-46(25,6)29(20)22)63-43-39(35(57)34(56)37(64-43)40(59)60)66-42-38(33(55)31(53)24(18-49)62-42)65-41-36(58)32(54)30(52)21(2)61-41/h9,20-21,23-39,41-43,49-58H,10-19H2,1-8H3,(H,59,60)/t20-,21?,23?,24?,25?,26?,27+,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,41?,42?,43?,45+,46+,47+,48+/m0/s1
InChIKeyHAQYPCUZKKYSEF-VBNZKLTDSA-N
ChEBI Ontology
Outgoing Relation(s)
Soyasaponine I (CHEBI:213098) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
6-[[(4S,6aR,7S,8aR,9R,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,7,8a,11,11,14b-heptamethyl-2,3,4a,5,6,6b,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
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