input word = C00006010

Metabolite InformationStructural formula
Name Isorhamnetin 3-(3'',6''-di-p-coumarylglucoside)
Formula C40H34O16
Mw 770.18468504
CAS RN 104582-31-2
C_ID C00006010 ,
InChIKey CQKFGYQBBQNDQG-BTWOLWMONA-N
InChICode InChI=1S/C40H34O16/c1-51-28-16-22(8-13-26(28)44)37-39(35(49)33-27(45)17-25(43)18-29(33)53-37)56-40-36(50)38(55-32(47)15-7-21-4-11-24(42)12-5-21)34(48)30(54-40)19-52-31(46)14-6-20-2-9-23(41)10-3-20/h2-18,30,34,36,38,40-45,48,50H,19H2,1H3/b14-6+,15-7+/t30-,34-,36-,38+,40+/m1/s1
SMILES COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)C(OC(=O)/C=C/c3ccc(O)cc3)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAerva lanata Ref.
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