input word = C00063846

Metabolite InformationStructural formula
Name Jatamandoid A
Formula C25H39ClO10
Mw 534.22317518
CAS RN 1404479-75-9
C_ID C00063846
InChIKey NREQXLGEOAAWHQ-PDQNLLLBSA-N
InChICode InChI=1S/C25H39ClO10/c1-13(2)7-18(28)35-20(15(5)6)22(30)33-10-16-11-34-23(36-19(29)8-14(3)4)21-24(16,31)9-17(27)25(21,32)12-26/h11,13-15,17,20-21,23,27,31-32H,7-10,12H2,1-6H3/t17-,20?,21-,23-,24-,25+/m0/s1
SMILES CC(C)CC(=O)OC1OC=C(COC(=O)C(OC(=O)CC(C)C)C(C)C)C2(O)CC(O)C(O)(CCl)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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