input word = C00029508

Metabolite InformationStructural formula
Name 3-O-beta-D-Glucopyranosyl-spinasterol
alpha-Spinasterol 3-O-beta-D-glucopyranoside
(-)-alpha-Spinasterol 3-O-beta-D-glucopyranoside
Formula C35H58O6
Mw 574.42333958
CAS RN 1745-36-4
C_ID C00029508 ,
InChIKey ITYGLICZKGWOPA-SMTQERQINA-N
InChICode 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+/t21-,22-,23+,24+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1C(=CC2)[C@H]2[C@](CC1)([C@@H]([C@H](C)/C=C/[C@H](C(C)C)CC)CC2)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAster scaber Ref.
PlantaeAsteraceaeEupatorium macrocephalum Lee. Ref.
PlantaeFabaceaePithecellobium dulce Ref.
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