input word = C00037674

Metabolite InformationStructural formula
Name Polystachyne E
Formula C20H20O6
Mw 356.12598837
CAS RN 262274-12-4
C_ID C00037674 ,
InChIKey DHKHOBTXWBNDOQ-UKEHVUCXNA-N
InChICode InChI=1S/C20H20O6/c1-19-7-14(10-3-5-23-8-10)26-18(22)11(19)2-4-20-9-24-17(21)12(20)6-13-15(25-13)16(19)20/h3,5-6,8,11,13-16H,2,4,7,9H2,1H3/t11-,13+,14-,15+,16+,19+,20-/m1/s1
SMILES [C@@H]1(C[C@]2([C@@H](C(=O)O1)CC[C@]13[C@H]2[C@@H]2[C@H](C=C1C(=O)OC3)O2)C)c1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia polystachya Ref.
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