input word = C00047465

Metabolite InformationStructural formula
Name Jatamanvaltrate B
(-)-Jatamanvaltrate B
Formula C32H50O13
Mw 642.32514168
CAS RN 1134138-66-1
C_ID C00047465 ,
InChIKey ZWCCPUWSKJGJNH-LGEGZULBNA-N
InChICode InChI=1S/C32H50O13/c1-17(2)10-24(34)42-16-32(39)23(43-21(9)33)13-31(38)22(15-41-30(28(31)32)45-26(36)12-19(5)6)14-40-29(37)27(20(7)8)44-25(35)11-18(3)4/h15,17-20,23,27-28,30,38-39H,10-14,16H2,1-9H3/t23-,27+,28-,30-,31-,32+/m0/s1
SMILES O1C=C([C@@]2([C@H]([C@@H]1OC(=O)CC(C)C)[C@@]([C@H](C2)OC(=O)C)(O)COC(=O)CC(C)C)O)COC(=O)[C@H](OC(=O)CC(C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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