input word = C00048233

Metabolite InformationStructural formula
Name Volvaltrate B
Formula C27H41ClO11
Mw 576.23373986
CAS RN 1181224-13-4
C_ID C00048233 ,
InChIKey OEVPPNBQSYOUCV-FXFBVYGSNA-N
InChICode InChI=1S/C27H41ClO11/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(37-17(7)29)27(23,34)13-28/h12,14-16,19,22-23,25,33-34H,8-11,13H2,1-7H3/t19-,22-,23-,25-,26-,27-/m0/s1
SMILES C1(=CO[C@H]([C@H]2[C@@]1(C[C@@H]([C@@]2(O)CCl)OC(=O)C)O)OC(=O)CC(C)C)COC(=O)[C@H](C(C)C)OC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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