input word = C00005634

Metabolite InformationStructural formula
Name Quercetagetin 3,7-diglucoside
Formula C27H30O18
Mw 642.14321416
CAS RN 65180-48-5
C_ID C00005634 ,
InChIKey RITGTALMSVHEIN-ALOSEIMLNA-N
InChICode InChI=1S/C27H30O18/c28-5-12-16(33)20(37)22(39)26(43-12)42-11-4-10-14(18(35)15(11)32)19(36)25(24(41-10)7-1-2-8(30)9(31)3-7)45-27-23(40)21(38)17(34)13(6-29)44-27/h1-4,12-13,16-17,20-23,26-35,37-40H,5-6H2/t12-,13-,16-,17-,20+,21+,22-,23-,26-,27+/m1/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium rollinsianum Ref.
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