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CHEBI:176153 - 18-Dehydroursolic acid 3-arabinoside

Default Structure
ChEBI IDCHEBI:176153
ChEBI Name18-Dehydroursolic acid 3-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O7
Net Charge0
Average Mass586.810
Monoisotopic Mass586.38695
SMILESCC1=C2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C
InChIInChI=1S/C35H54O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(36)18-41-29/h8,19,22-25,27-29,36-38H,9-18H2,1-7H3,(H,39,40)/t19-,22+,23?,24?,25+,27+,28-,29+,32+,33-,34-,35+/m1/s1
InChIKeyGCGPCEUHJCFZIV-DRQOBSTJSA-N
ChEBI Ontology
Outgoing Relation(s)
18-Dehydroursolic acid 3-arabinoside (CHEBI:176153) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R,4aS,6aS,6bR,10S,12aR)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid
Manual XrefsDatabases
35014486ChemSpider
HMDB0037908HMDB