input word = C00011068

Metabolite InformationStructural formula
Name Cyanidin 3-O-beta-rutinoside-7-O-beta-glucoside
Formula C33H41O20
Mw 757.21911875
CAS RN
C_ID C00011068 ,
InChIKey YSYVNABMYLOVHC-UXPSDUBTNA-O
InChICode InChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-15(36)5-12(49-32-28(45)25(42)22(39)19(8-34)52-32)6-17(13)50-30(18)11-2-3-14(35)16(37)4-11/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27-,28+,29+,31+,32+,33+/m0/s1
SMILES c1(c2c(cc(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLiliaceaeLilium spp. Ref.
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OrganismLilium spp.
ReferenceNorbaek,Phytochem.,50,(1999),1181