input word = C00053935

Metabolite InformationStructural formula
Name Cichotyboside
Formula C30H34O15
Mw 634.18977042
CAS RN 1071983-45-3
C_ID C00053935
InChIKey BDDVBGXHTQRRGI-WBSDCCNBSA-N
InChICode InChI=1S/C30H34O15/c1-10-18-20(13(22(36)24(18)38)9-42-30-26(40)25(39)23(37)16(8-31)43-30)27-19(11(2)29(41)45-27)28(21(10)35)44-17(34)6-4-12-3-5-14(32)15(33)7-12/h3-7,11,16,19,21-23,25-28,30-33,35-37,39-40H,8-9H2,1-2H3/b6-4+/t11?,16-,19+,21-,22?,23-,25+,26-,27+,28+,30-/m1/s1
SMILES CC1=C2C(=O)C(O)C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2[C@H]2OC(=O)C(C)[C@@H]2[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium intybus Ref.
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