CHEBI:176232 - Clerosterol 3-glucoside

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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 Clerosterol 3-glucoside
ChEBI ID CHEBI:176232
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H58O6
Net Charge 0
Average Mass 574.843
Monoisotopic Mass 574.42334
InChI InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,21-22,24-33,36-39H,2,7-9,11-19H2,1,3-6H3
InChIKey FKZKAGYCKXYXKP-UHFFFAOYSA-N
SMILES O(C1CC=2C(C3C(C4C(C(CC4)C(CCC(CC)C(C)=C)C)(CC3)C)CC2)(CC1)C)C5OC(C(O)C(O)C5O)CO
ChEBI Ontology
Outgoing Clerosterol 3-glucoside (CHEBI:176232) has parent hydride stigmastane (CHEBI:26773)
Clerosterol 3-glucoside (CHEBI:176232) is a steroid (CHEBI:35341)
IUPAC Name
2-[[17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xrefs Databases
10474667 ChemSpider
HMDB0034204 HMDB
LMST01040254 LIPID MAPS
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