input word = C00045527

Metabolite InformationStructural formula
Name 1-Homoisoacevaltrate
(+)-1-Homoisoacevaltrate
Formula C25H34O10
Mw 494.21519731
CAS RN 480998-95-6
C_ID C00045527 ,
InChIKey XACDKHBZZCTLAX-NLGPCDADNA-N
InChICode InChI=1S/C25H34O10/c1-7-14(4)8-20(28)35-24-21-18(9-19(33-15(5)26)25(21)12-32-25)17(11-31-24)10-30-23(29)22(13(2)3)34-16(6)27/h9,11,13-14,19,21-22,24H,7-8,10,12H2,1-6H3/t14-,19-,21+,22+,24-,25+/m0/s1
SMILES CCC(C)CC(=O)O[C@@H]1OC=C(COC(=O)C(OC(C)=O)C(C)C)C2=C[C@H](OC(C)=O)[C@]3(CO3)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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