input word = C00014768

Metabolite InformationStructural formula
Name Pelargonidin 3-O-[2-O-(beta-D-xylopyranosyl)-6-O-(methyl-malonyl)-bata-D-galactopyranoside]
Formula C30H33O17
Mw 665.17177463
CAS RN 345306-91-4
C_ID C00014768 ,
InChIKey UESAMCVFZZGZKM-NVTGTKMDNA-O
InChICode InChI=1S/C30H32O17/c1-41-21(35)9-22(36)42-11-20-24(38)25(39)28(47-29-26(40)23(37)17(34)10-43-29)30(46-20)45-19-8-15-16(33)6-14(32)7-18(15)44-27(19)12-2-4-13(31)5-3-12/h2-8,17,20,23-26,28-30,34,37-40H,9-11H2,1H3,(H2-,31,32,33)/p+1/t17-,20-,23+,24-,25-,26+,28-,29+,30+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)COC(=O)CC(=O)OC)O)O)O[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAnemone coronaria Ref.
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