input word = C00022458

Metabolite InformationStructural formula
Name 3beta,4alpha,7beta,10beta-Tetrahydroxy-15,16-epoxy-labda-13(16),14-dien-20,12-olide
Formula C20H28O7
Mw 380.18350325
CAS RN 132550-28-8
C_ID C00022458 ,
InChIKey PEGJNTXGPFWFPG-WGYKMZPWNA-N
InChICode InChI=1S/C20H28O7/c1-11-13(21)8-17(2)18(3,24)15(22)4-6-20(17,25)19(11)9-14(27-16(19)23)12-5-7-26-10-12/h5,7,10-11,13-15,21-22,24-25H,4,6,8-9H2,1-3H3/t11-,13+,14-,15+,17+,18-,19+,20-/m1/s1
SMILES C1[C@@H]([C@@]([C@]2([C@](C1)([C@@]1([C@@H]([C@H](C2)O)C)C(=O)O[C@H](C1)c1ccoc1)O)C)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeConyza aegyptica Ref.
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