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CHEBI:189940 - Ichangic acid 17-beta-D-glucopyranoside

ChEBI IDCHEBI:189940
ChEBI NameIchangic acid 17-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O15
Net Charge0
Average Mass668.689
Monoisotopic Mass668.26802
SMILESCC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(OC3OC(CO)C(O)C(O)C3O)c3ccoc3)C23OC3C(=O)O)C12COC(=O)CC2O
InChIInChI=1S/C32H44O15/c1-28(2,42)17-9-18(34)30(4)16(31(17)13-44-20(36)10-19(31)35)5-7-29(3,32(30)25(47-32)26(40)41)24(14-6-8-43-12-14)46-27-23(39)22(38)21(37)15(11-33)45-27/h6,8,12,15-17,19,21-25,27,33,35,37-39,42H,5,7,9-11,13H2,1-4H3,(H,40,41)
InChIKeyZOJPKDNYMBAQJP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Ichangic acid 17-beta-D-glucopyranoside (CHEBI:189940) is a terpene glycoside (CHEBI:61777)
Manual XrefsDatabases
HMDB0037590HMDB