input word = C00063950

Metabolite InformationStructural formula
Name Jatamanvaltrate P
Formula C27H40O10
Mw 524.2621475
CAS RN 1610359-75-5
C_ID C00063950
InChIKey NBIOBPFLPMZWJK-HVLDEAOBSA-N
InChICode InChI=1S/C27H40O10/c1-15(2)8-22(29)33-12-19-13-34-26(37-24(31)10-17(5)6)25-20(19)11-21(36-23(30)9-16(3)4)27(25,32)14-35-18(7)28/h11,13,15-17,21,25-26,32H,8-10,12,14H2,1-7H3/t21-,25+,26-,27+/m0/s1
SMILES CC(=O)OCC1(O)C(OC(=O)CC(C)C)C=C2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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