input word = C00022533

Metabolite InformationStructural formula
Name 3alpha-Hydroxy-5,6-dehydrochiliolide
Formula C20H26O4
Mw 330.18310932
CAS RN 102904-49-4
C_ID C00022533 ,
InChIKey WVRDZXWBGHINPN-CFOKKLHRNA-N
InChICode InChI=1S/C20H26O4/c1-12-4-5-14-15(6-7-17(21)19(14,2)3)20(12)10-16(24-18(20)22)13-8-9-23-11-13/h5,8-9,11-12,15-17,21H,4,6-7,10H2,1-3H3/t12-,15+,16+,17-,20-/m1/s1
SMILES C1[C@H](C(C2=CC[C@H]([C@]3([C@H]2C1)C(=O)O[C@@H](C3)c1cocc1)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNardophyllum lanatum Ref.
--Chiliotrichium rosmarinifolium Ref.
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OrganismChiliotrichium rosmarinifolium
ReferenceJakupovic,Tetrahedron,42,(1986),1305