input word = C00022534

Metabolite InformationStructural formula
Name 3alpha-Hydroxy-5beta,10beta-epoxychiliolide
Formula C20H26O5
Mw 346.17802394
CAS RN 102904-50-7
C_ID C00022534 ,
InChIKey NNPGERSFOITVNY-BSHJBHIJNA-N
InChICode InChI=1S/C20H26O5/c1-12-4-7-19-17(2,3)15(21)5-8-20(19,25-19)18(12)10-14(24-16(18)22)13-6-9-23-11-13/h6,9,11-12,14-15,21H,4-5,7-8,10H2,1-3H3/t12-,14+,15-,18+,19+,20+/m1/s1
SMILES C1[C@H](C([C@]23[C@](C1)([C@@]1([C@@H](CC2)C)C(=O)O[C@@H](C1)c1cocc1)O3)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Chiliotrichium rosmarinifolium Ref.
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OrganismChiliotrichium rosmarinifolium
ReferenceJakupovic,Tetrahedron,42,(1986),1305