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 CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CCOC2=O)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex rotundifolia Ref.
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