input word = C00049335

Metabolite InformationStructural formula
Name Viteoside A
(-)-Viteoside A
Formula C28H44O11
Mw 556.28836225
CAS RN 209899-63-8
C_ID C00049335 ,
InChIKey CFZLMOHGTWAPSR-LFFOMPPPNA-N
InChICode InChI=1S/C28H44O11/c1-14-12-17(37-15(2)30)23-26(3,4)19(39-25-22(33)21(32)20(31)18(13-29)38-25)7-9-27(23,5)28(14,35)10-6-16-8-11-36-24(16)34/h8,14,17-23,25,29,31-33,35H,6-7,9-13H2,1-5H3/t14-,17-,18-,19+,20-,21+,22-,23+,25+,27+,28-/m1/s1
SMILES [C@H]1(C[C@H]([C@@H]2[C@@]([C@]1(CCC1=CCOC1=O)O)(CC[C@@H](C2(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex rotundifolia Ref.
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