input word = C00006702

Metabolite InformationStructural formula
Name Delphinidin 3-lathyroside
Formula C26H29O16
Mw 597.14555988
CAS RN 57029-72-8
C_ID C00006702 ,
InChIKey TWYYVOVDSNRIJM-RDTFWBPSNA-O
InChICode InChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1/t14-,17-,19-,20-,21+,22-,24+,25-,26+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax divaricatus Ref.
PlantaeAsteraceaeCarthamus glauca Ref.
PlantaeEricaceaeCyathodes dealbata Ref.
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