input word = C00039933

Metabolite InformationStructural formula
Name Parnapimarol
(+)-Parnapimarol
Formula C27H42O5
Mw 446.30322445
CAS RN 1013633-80-1
C_ID C00039933 ,
InChIKey QKFZOHYVWBVZEU-UKHTUCDZNA-N
InChICode InChI=1S/C27H42O5/c1-8-17(3)24(30)31-16-26(6)15-13-22(29)27(7)20-12-14-25(5,9-2)23(32-18(4)28)19(20)10-11-21(26)27/h9,17,21-23,29H,2,8,10-16H2,1,3-7H3/t17-,21-,22-,23-,25+,26-,27+/m0/s1
SMILES C1C[C@]([C@H]2[C@]([C@H]1O)(C1=C(CC2)[C@@H]([C@@](CC1)(C=C)C)OC(=O)C)C)(COC(=O)[C@H](CC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeNepeta parnassica Ref.
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