input word = C00060725

Metabolite InformationStructural formula
Name Cyanidin 3-(6''-O-trans-p-coumaroyl)-beta-D-glucoside
Formula C30H27O13
Mw 595.14516595
CAS RN 205505-31-3
C_ID C00060725
InChIKey QAOBEOXFSUJDJL-SHPGVJHPSA-O
InChICode InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1/t24-,26-,27+,28-,30-/m1/s1
SMILES O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOcimum basilicum Ref.
PlantaeLabiataePerilla frutescens Ref.
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