input word = C00037671

Metabolite InformationStructural formula
Name Polystachyne B
(+)-Polystachyne B
Formula C20H22O6
Mw 358.14163844
CAS RN 262274-09-9
C_ID C00037671 ,
InChIKey CYIQXXCGDFOHBI-LDKBYWIONA-N
InChICode InChI=1S/C20H22O6/c1-9-13-5-19-8-23-17(21)11(19)4-12-15(24-12)16(19)20(9)6-14(26-18(20)25-13)10-2-3-22-7-10/h2-3,7,9,11-16,18H,4-6,8H2,1H3/t9-,11-,12-,13-,14-,15-,16+,18+,19-,20-/m1/s1
SMILES [C@@H]12[C@]3([C@@H]4[C@]5([C@H](C[C@@H]6[C@H]4O6)C(=O)OC5)C[C@H]([C@H]3C)O2)C[C@@H](O1)c1cocc1
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