input word = C00022528

Metabolite InformationStructural formula
Name 3alpha,5alpha-Dihydroxychiliolide
Formula C20H28O5
Mw 348.193674
CAS RN 102904-45-0
C_ID C00022528 ,
InChIKey CTJAWIDVJALCGZ-AEVOJKOSNA-N
InChICode InChI=1S/C20H28O5/c1-12-6-8-20(23)15(4-5-16(21)18(20,2)3)19(12)10-14(25-17(19)22)13-7-9-24-11-13/h7,9,11-12,14-16,21,23H,4-6,8,10H2,1-3H3/t12-,14+,15-,16-,19-,20+/m1/s1
SMILES C1[C@H](C([C@]2([C@H](C1)[C@@]1([C@@H](CC2)C)C(=O)O[C@@H](C1)c1cocc1)O)(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