input word = C00010755

Metabolite InformationStructural formula
Name Grandifloroside
Formula C25H30O13
Mw 538.16864105
CAS RN 61186-24-1
C_ID C00010755 ,
InChIKey ZPEFYJBGAZLAKK-QASDOZFWNA-N
InChICode InChI=1S/C25H30O13/c1-2-13-14(7-8-35-19(29)6-4-12-3-5-16(27)17(28)9-12)15(23(33)34)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h2-6,9,11,13-14,18,20-22,24-28,30-32H,1,7-8,10H2,(H,33,34)/b6-4+/t13-,14-,18+,20+,21-,22-,24-,25-/m0/s1
SMILES [C@@H]1([C@@H]([C@@H](OC=C1C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)C=C)CCOC(=O)/C=C/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeAnthocleista grandiflora Ref.
PlantaeRubiaceaeAdina racemosa Ref.
PlantaeRubiaceaeNeonauclea sessilifolia Ref.
zoom in