input word = C00005427

Metabolite InformationStructural formula
Name Quercetin 3,7-O-beta-diglucopyranoside
Quercetin 3,7-di-O-beta-D-glucopyranoside
Quercetin 3,7-diglucoside
Formula C27H30O17
Mw 626.14829954
CAS RN 6892-74-6
C_ID C00005427 ,
InChIKey BNSCASRSSGJHQH-AVNJKGJRNA-N
InChICode InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)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)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona warmingiana Ref.
PlantaeAnnonaceaeGuatteria australis Ref.
PlantaeAsteraceaeCarthamus tinctorius Ref.
PlantaeAsteraceaeChrysanthemum indicum Ref.
PlantaeCelastraceaeEuonymus maackii Ref.
PlantaeCrassulaceaeSedum acre Ref.
PlantaeCruciferaeSisymbrium spp. Ref.
PlantaeCucurbitaceaeMarah oreganus Ref.
PlantaeEquisetaceaeEquisetum laevigatum Ref.
PlantaeFabaceaeBaptisia alba Ref.
PlantaeFabaceaeLotus polyphyllos Ref.
PlantaeFabaceaeMacroptilium lathyroides Ref.
PlantaeFabaceaeUlex europaeus Ref.
PlantaeFumariaceaeFumaria parviflora Ref.
PlantaeGeraniaceaeGeranium dissectum Ref.
PlantaeHydrocharitaceaeThalassia ciliatum Ref.
PlantaeOrchidaceaeBrassia muricata Ref.
PlantaePoaceaeZea mays Ref.
PlantaeSaxifragaceaeHeuchera micrantha Ref.
PlantaeSolanaceaeLeucophysalis spp. Ref.
PlantaeSolanaceaePetunia x hybrida Ref.
PlantaeSolanaceaePhysalis alkekengi var. franchetii Ref.
PlantaeVitaceaeVitis sp. Ref.
PlantaeZygophyllaceaeTribulus pentandrus Ref.
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