input word = C00022564

Metabolite InformationStructural formula
Name 3alpha-Acetoxy-4beta,10beta-dihydroxy-8beta,17,15,16-bis-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
Formula C22H28O8
Mw 420.17841787
CAS RN 129349-88-8
C_ID C00022564 ,
InChIKey SXGHMKMNXMCWBO-KTGZYIEUNA-N
InChICode InChI=1S/C22H28O8/c1-13(23)29-16-4-6-22(26)18(2,19(16,3)25)7-8-20(12-28-20)21(22)10-15(30-17(21)24)14-5-9-27-11-14/h5,9,11,15-16,25-26H,4,6-8,10,12H2,1-3H3/t15-,16-,18-,19+,20+,21-,22-/m1/s1
SMILES C1[C@H]([C@@]([C@@]2([C@](C1)([C@@]1([C@@]3(CC2)OC3)C(=O)O[C@H](C1)c1ccoc1)O)C)(O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia incana Ref.
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