input word = C00044788

Metabolite InformationStructural formula
Name Grandifloroside 11-methyl ester
(+)-Grandifloroside 11-methyl ester
Formula C26H32O13
Mw 552.18429111
CAS RN 557790-50-8
C_ID C00044788 ,
InChIKey YCXZRYPACPFHPG-BPRQTAKINA-N
InChICode InChI=1S/C27H34O12/c1-3-15-16(10-11-37-22(31)9-5-14-4-7-18(29)19(30)12-14)17(26(35)36-2)6-8-20(15)38-27-25(34)24(33)23(32)21(13-28)39-27/h3-7,9,12,15-16,20-21,23-25,27-30,32-34H,1,8,10-11,13H2,2H3/b9-5+/t15-,16+,20-,21-,23-,24+,25-,27-/m1/s1
SMILES [C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]1[C@@H]([C@@H](C(=CC1)C(=O)OC)CCOC(=O)/C=C/c1cc(c(cc1)O)O)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAdina racemosa Ref.
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