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 c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)c1ccc(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O
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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