input word = C00037670

Metabolite InformationStructural formula
Name Polystachyne A
(+)-Polystachyne A
Formula C20H22O5
Mw 342.14672381
CAS RN 262274-08-8
C_ID C00037670 ,
InChIKey JQHRRMYSQRDDFZ-CKVAHZPINA-N
InChICode InChI=1S/C20H22O5/c1-11-14-7-19-10-23-17(21)13(19)3-2-4-16(19)20(11)8-15(25-18(20)24-14)12-5-6-22-9-12/h2,4-6,9,11,13-16,18H,3,7-8,10H2,1H3/t11-,13-,14-,15-,16-,18+,19-,20-/m1/s1
SMILES [C@@H]12[C@@]3(C[C@H]4O[C@@H]5[C@]1(C[C@@H](O5)c1cocc1)[C@@H]4C)[C@H](CC=C2)C(=O)OC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia polystachya Ref.
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OrganismSalvia polystachya
ReferenceMaldonado,Phytochem.,53,(2000),103