input word = C00021053

Metabolite InformationStructural formula
Name Subexpinnatin C
Formula C17H22O4
Mw 290.15180919
CAS RN 99305-07-4
C_ID C00021053 ,
InChIKey SKCZNKOWUHMFNX-COPCHXEENA-N
InChICode InChI=1S/C17H22O4/c1-8-4-5-11-9(2)6-12(18)14-15(13(8)11)20-16(19)17(14)7-10(3)21-17/h10-15,18H,1-2,4-7H2,3H3/t10-,11+,12+,13+,14-,15-,17+/m1/s1
SMILES [C@@H]12[C@@H]([C@@H]3[C@@H]([C@H](CC1=C)O)[C@@]1(C(=O)O3)O[C@@H](C1)C)C(=C)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea canariensis Ref.
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OrganismCentaurea canariensis
ReferenceCollado,Phytochem.,24,(1985),2107