input word = C00031744

Metabolite InformationStructural formula
Name Dichotomoside C
Formula C30H40O13
Mw 608.24689137
CAS RN 845673-19-0
C_ID C00031744 ,
InChIKey JKMGHGDVBFBDHM-ACSYHXPKNA-N
InChICode InChI=1S/C30H40O13/c1-4-5-10-41-24(34)9-7-17-11-18(25(35)20(13-17)39-2)19-12-16(6-8-23(32)33)14-21(40-3)29(19)43-30-28(38)27(37)26(36)22(15-31)42-30/h11-14,22,26-28,30-31,35-38H,4-10,15H2,1-3H3,(H,32,33)/t22-,26-,27+,28-,30+/m1/s1
SMILES c1(cc(c(c(c1)OC)O)c1cc(cc(c1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC)CCC(=O)O)CCC(=O)OCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeStellaria dichotoma L.var.lanceolata Ref.
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