input word = C00041726

Metabolite InformationStructural formula
Name Parvifoline E
(-)-Parvifoline E
Formula C22H30O8
Mw 422.19406794
CAS RN 882673-12-3
C_ID C00041726 ,
InChIKey KLQMKLWEZHZLQJ-WZDGFSSLNA-N
InChICode InChI=1S/C22H30O8/c1-10-12-4-5-13-20-9-29-22(28,21(13,16(10)25)17(12)26)18(27)15(20)19(3,8-23)7-6-14(20)30-11(2)24/h12-15,17-18,23,26-28H,1,4-9H2,2-3H3/t12-,13-,14-,15+,17-,18-,19+,20+,21-,22+/m0/s1
SMILES [C@H]1([C@]23[C@@H]([C@](CC1)(CO)C)[C@@H]([C@]([C@@]14[C@H]2CC[C@@H](C(=C)C1=O)[C@@H]4O)(OC3)O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon parvifolius Ref.
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