input word = C00043019

Metabolite InformationStructural formula
Name Speedoside
Formula C30H38O18
Mw 686.20581441
CAS RN 219787-02-7
C_ID C00043019 ,
InChIKey ANEVGLDJVAGIAL-XIZYATIWNA-N
InChICode InChI=1S/C30H38O18/c31-8-15-19(36)21(38)23(40)28(44-15)43-14-3-1-11(7-13(14)34)2-4-17(35)46-25-12-5-6-42-27(18(12)30(10-33)26(25)48-30)47-29-24(41)22(39)20(37)16(9-32)45-29/h1-7,12,15-16,18-29,31-34,36-41H,8-10H2/b4-2+/t12-,15+,16+,18+,19+,20+,21-,22-,23+,24+,25-,26-,27-,28+,29-,30+/m0/s1
SMILES C1=C[C@H]2[C@H]([C@@H](O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@]1([C@H]([C@H]2OC(=O)/C=C/c2cc(c(cc2)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O1)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica bellidioides Ref.
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OrganismVeronica bellidioides
ReferenceTaskova,Phytochem.,49,(1998),1323