input word = C00050081

Metabolite InformationStructural formula
Name E-6-O-p-coumaroyl scandoside methyl ester 10-O-methyl methyl ether
Formula C27H32O13
Mw 564.18429111
CAS RN 914955-43-4
C_ID C00050081 ,
InChIKey HTZKOYZYQWXCEV-AVBRCDBXNA-N
InChICode InChI=1S/C27H32O13/c1-35-11-14-9-17(38-19(30)8-5-13-3-6-15(29)7-4-13)21-16(25(34)36-2)12-37-26(20(14)21)40-27-24(33)23(32)22(31)18(10-28)39-27/h3-9,12,17-18,20-24,26-29,31-33H,10-11H2,1-2H3/b8-5+/t17-,18+,20+,21-,22+,23-,24+,26-,27-/m0/s1
SMILES COCC1=C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]2C(C(=O)OC)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeOldenlandia diffusa Ref.
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