input word = C00006730

Metabolite InformationStructural formula
Name Petunidin 3-gentiotrioside
Formula C34H43O22
Mw 803.22459806
CAS RN
C_ID C00006730 ,
InChIKey KBVVCTUMEKXAJL-MAJGBFNYNA-O
InChICode InChI=1S/C34H42O22/c1-49-16-3-10(2-14(38)21(16)39)31-17(6-12-13(37)4-11(36)5-15(12)52-31)53-34-30(48)27(45)24(42)20(56-34)9-51-33-29(47)26(44)23(41)19(55-33)8-50-32-28(46)25(43)22(40)18(7-35)54-32/h2-6,18-20,22-30,32-35,40-48H,7-9H2,1H3,(H3-,36,37,38,39)/p+1/t18-,19-,20-,22-,23-,24-,25+,26+,27+,28-,29-,30+,32-,33-,34-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO[C@@H]3OC(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePrimulaceaePrimula spp. Ref.
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OrganismPrimula spp.
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Harborne,Comparative Biochemistry of the Flavonoids,(1967),186,Academic Press