input word = C00042094

Metabolite InformationStructural formula
Name 2beta-Hydroxysalvigenolide
(-)-2beta-Hydroxysalvigenolide
Formula C22H22O8
Mw 414.13146768
CAS RN 855297-49-3
C_ID C00042094 ,
InChIKey DUJNCWIGAAEQEN-YUPLKDRMNA-N
InChICode InChI=1S/C22H22O8/c1-10-15-5-13(24)6-16-21(26)28-9-22(15,16)17(29-11(2)23)7-14-18(10)19(30-20(14)25)12-3-4-27-8-12/h3-4,6,8,13-15,17,19,24H,5,7,9H2,1-2H3/t13-,14+,15+,17+,19-,22-/m0/s1
SMILES C1[C@@H]2C(=C([C@@H]3[C@]4([C@@H]1OC(=O)C)C(=C[C@H](C3)O)C(=O)OC4)C)[C@@H](OC2=O)c1cocc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia xalapensis Ref.
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OrganismSalvia xalapensis
ReferenceEsquivel,J.Nat.Prod.,68,(2005),797