CHEBI:176231 - alpha-Spinasterol 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 alpha-Spinasterol 3-glucoside
ChEBI ID CHEBI:176231
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/h8-9,11,20-24,26-33,36-39H,7,10,12-19H2,1-6H3/b9-8+
InChIKey ITYGLICZKGWOPA-CMDGGOBGSA-N
SMILES O(C1CC2C(C3C(C4C(C(CC4)C(C)/C=C/C(C(C)C)CC)(CC3)C)=CC2)(CC1)C)C5OC(C(O)C(O)C5O)CO
ChEBI Ontology
Outgoing alpha-Spinasterol 3-glucoside (CHEBI:176231) has parent hydride stigmastane (CHEBI:26773)
alpha-Spinasterol 3-glucoside (CHEBI:176231) is a steroid (CHEBI:35341)
IUPAC Name
2-[[17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xref Database
HMDB0033775 HMDB
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