input word = C00060522

Metabolite InformationStructural formula
Name Cyanidin 3-sophoroside chloride
Formula C27H31ClO16
Mw 646.13006266
CAS RN 18376-31-3
C_ID C00060522
InChIKey SGNFWBVNFUISGD-VENVAYKGSA-N
InChICode InChI=1S/C27H30O16.ClH/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9;/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33);1H/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27-;/m1./s1
SMILES OCC1OC(OC2C(Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)OC(CO)C(O)C2O)C(O)C(O)C1O.[Cl-]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia mangostana Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaePoaceaeOryza sativa Ref.
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OrganismOryza sativa
Referencehttps://doi.org/10.13386/j.issn1002-0306.2014.17.055