input word = C00005435

Metabolite InformationStructural formula
Name Quercetin 3,3'-diglucoside
Formula C27H30O17
Mw 626.14829954
CAS RN 20188-84-5
C_ID C00005435 ,
InChIKey VAFSBVRKSHSWHW-AVNJKGJRNA-N
InChICode InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-3-8(1-2-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15+,17-,18-,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[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeActinidiaceaeActinidia chinensis jinggangshanensis Ref.
PlantaePinaceaePinus banksiana Ref.
PlantaePinaceaePinus contorta Ref.
PlantaePoaceaeZea mays Ref.
PlantaeSapindaceaeAesculus hippocastanum Ref.
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