input word = C00022556

Metabolite InformationStructural formula
Name 3alpha,4beta,10beta-Trihydroxy-15,16-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
Formula C20H28O6
Mw 364.18858863
CAS RN 129349-80-0
C_ID C00022556 ,
InChIKey QIAILSRHPLMWIP-BEHRJQEENA-N
InChICode InChI=1S/C20H28O6/c1-12-4-7-17(2)18(3,23)15(21)5-8-20(17,24)19(12)10-14(26-16(19)22)13-6-9-25-11-13/h6,9,11-12,14-15,21,23-24H,4-5,7-8,10H2,1-3H3/t12-,14-,15-,17-,18+,19+,20-/m1/s1
SMILES C1[C@H]([C@@]([C@@]2([C@](C1)([C@@]1([C@@H](CC2)C)C(=O)O[C@H](C1)c1ccoc1)O)C)(O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia eenii Ref.
PlantaeAsteraceaePteronia incana Ref.
zoom in