input word = C00031743

Metabolite InformationStructural formula
Name Dichotomoside B
(+)-Dichotomoside B
Formula C30H40O13
Mw 608.24689137
CAS RN 845673-18-9
C_ID C00031743 ,
InChIKey CQJZSGNCDIJTLR-ACSYHXPKNA-N
InChICode InChI=1S/C30H40O13/c1-4-5-10-41-24(34)9-7-17-12-19(18-11-16(6-8-23(32)33)13-20(39-2)25(18)35)29(21(14-17)40-3)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)OCCCC)CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeStellaria dichotoma L.var.lanceolata Ref.
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