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CHEBI:192058 - Sanguisorbin B

Default Structure
ChEBI IDCHEBI:192058
ChEBI NameSanguisorbin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O7
Net Charge0
Average Mass588.826
Monoisotopic Mass588.40260
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C35H56O7/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/h8,19-20,22-29,36-38H,9-18H2,1-7H3,(H,39,40)/t19-,20+,22+,23+,24-,25+,26+,27+,28-,29-,32+,33-,34-,35+/m1/s1
InChIKeyGZQIINDHMUJEAM-MUPFVPTMSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Sanguisorbin B (CHEBI:192058) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Manual XrefsDatabases
32698991ChemSpider
Registry NumbersSources
CAS:32180-34-0ChemIDplus