input word = C00045386

Metabolite InformationStructural formula
Name Pseudoirroratin A
(-)-Pseudoirroratin A
Formula C20H28O5
Mw 348.193674
CAS RN 407594-84-7
C_ID C00045386 ,
InChIKey NDYPVJHBSKUXPP-MFCHTHNONA-N
InChICode InChI=1S/C20H28O5/c1-10-11-8-19(24)16-18(9-25-19)6-4-5-17(2,3)12(18)7-13(21)20(16,14(10)22)15(11)23/h11-13,15-16,21,23-24H,1,4-9H2,2-3H3/t11-,12+,13+,15+,16+,18-,19+,20+/m0/s1
SMILES C=C1C(=O)[C@@]23C(O)[C@H]1C[C@@]1(O)OC[C@]4(CCCC(C)(C)[C@H]4C[C@H]2O)[C@@H]31
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon pseudo-irrorata Ref.
zoom in