input word = C00019368

Metabolite InformationStructural formula
Name 12-Hydroxynerolidol 3-O-beta-D-2'-acetylglucoside
Formula C25H40O9
Mw 484.26723288
CAS RN 135010-77-4
C_ID C00019368 ,
InChIKey ZZRXUBHGMJNKEB-NUSJEMGONA-N
InChICode InChI=1S/C25H40O9/c1-7-25(6,13-9-12-16(2)10-8-11-17(3)14-26)34-24-23(32-19(5)28)22(30)21(29)20(33-24)15-31-18(4)27/h7,11-12,20-24,26,29-30H,1,8-10,13-15H2,2-6H3/b16-12+,17-11+/t20-,21-,22+,23-,24+,25+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)C)O[C@](CC/C=C(/CC/C=C(/CO)\C)\C)(C=C)C)OC(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGaillardia aestivalis Ref.
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OrganismGaillardia aestivalis
ReferenceHerz,Phytochem.,30,(1991),1273