input word = C00038951

Metabolite InformationStructural formula
Name Deacetylpseudolaric acid A 2,3-dihydroxypropyl ester
Formula C23H32O7
Mw 420.21480338
CAS RN 932377-31-6
C_ID C00038951 ,
InChIKey PLTCVTIGYXRXBT-RBZLKHPUNA-N
InChICode InChI=1S/C23H32O7/c1-15-6-10-22-11-8-18(23(22,28)12-7-15)21(3,30-20(22)27)9-4-5-16(2)19(26)29-14-17(25)13-24/h4-6,9,17-18,24-25,28H,7-8,10-14H2,1-3H3/b9-4+,16-5+/t17-,18-,21-,22+,23-/m0/s1
SMILES O1[C@]([C@H]2[C@@]3([C@](C1=O)(CC=C(CC3)C)CC2)O)(/C=C/C=C(/C(=O)OC[C@H](CO)O)\C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePseudolarix kaempferi Ref.
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