input word = C00022570

Metabolite InformationStructural formula
Name Pteroneeniol
Formula C25H34O6
Mw 430.23553882
CAS RN 129349-91-3
C_ID C00022570 ,
InChIKey RKAHMZRIDIUDEY-OPZLOMPDNA-N
InChICode InChI=1S/C25H34O6/c1-6-14(2)21(26)29-17(16-9-10-28-13-16)12-25-15(3)11-20(30-22(25)27)23(4)18(25)7-8-19-24(23,5)31-19/h6,9-10,13,15,17-20,22,27H,7-8,11-12H2,1-5H3/b14-6-/t15-,17-,18+,19-,20+,22+,23-,24-,25-/m1/s1
SMILES C1[C@@H]2[C@]([C@@]3([C@H](C1)[C@]1([C@@H](C[C@@H]3O[C@@H]1O)C)C[C@H](c1ccoc1)OC(=O)/C(=C\C)/C)C)(O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia eenii Ref.
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OrganismPteronia eenii
ReferenceZdero,Phytochem.,29,(1990),1231