input word = C00022568

Metabolite InformationStructural formula
Name 4beta-Hydroxy-3alpha,6alpha,15,16-bis-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
Formula C21H28O6
Mw 376.18858863
CAS RN 129349-89-9
C_ID C00022568 ,
InChIKey AIHACJYGATZDDL-ULQCSKQENA-N
InChICode InChI=1S/C21H28O6/c1-12-9-21(24-4)18(2)15(5-6-16(27-21)19(18,3)23)20(12)10-14(26-17(20)22)13-7-8-25-11-13/h7-8,11-12,14-16,23H,5-6,9-10H2,1-4H3/t12-,14-,15+,16-,18+,19+,20-,21+/m1/s1
SMILES C1[C@@H]2[C@@]([C@@]3([C@H](C1)[C@@]1([C@@H](C[C@@]3(O2)OC)C)C(=O)O[C@H](C1)c1ccoc1)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia eenii Ref.
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