input word = C00010756

Metabolite InformationStructural formula
Name Methylgrandifloroside
Formula C26H32O13
Mw 552.18429111
CAS RN 61186-25-2
C_ID C00010756 ,
InChIKey PLTGIFOLPHETSZ-BGTIXHBVNA-N
InChICode InChI=1S/C26H32O13/c1-3-14-15(8-9-36-20(29)7-5-13-4-6-17(28)18(10-13)35-2)16(24(33)34)12-37-25(14)39-26-23(32)22(31)21(30)19(11-27)38-26/h3-7,10,12,14-15,19,21-23,25-28,30-32H,1,8-9,11H2,2H3,(H,33,34)/b7-5+/t14-,15-,19+,21+,22-,23-,25-,26-/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)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeAnthocleista grandiflora Ref.
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OrganismAnthocleista grandiflora
ReferenceChapelle,Phytochem.,15,(1976),1305