input word = C00029990

Metabolite InformationStructural formula
Name Clauslactone S
(+)-Clauslactone S
Formula C20H22O8
Mw 390.13146768
CAS RN 1064078-33-6
C_ID C00029990 ,
InChIKey NWMSLWUUYULLQT-RIWZPSMYNA-N
InChICode InChI=1S/C20H22O8/c1-19(23)8-12(26-18(19)22)9-20(2)14(28-20)10-25-13-6-4-11-5-7-15(21)27-16(11)17(13)24-3/h4-7,12,14,23H,8-10H2,1-3H3/t12-,14+,19+,20+/m0/s1
SMILES COc1c(OC[C@H]2O[C@]2(C)C[C@@H]2C[C@@](C)(O)C(=O)O2)ccc2ccc(=O)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeClausena excavata Ref.
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