input word = C00037470

Metabolite InformationStructural formula
Name Malacitanolide
(+)-Malacitanolide
Formula C20H26O8
Mw 394.16276781
CAS RN 194861-64-8
C_ID C00037470 ,
InChIKey OZJAAHIGUMFSHY-AHYLDQOKNA-N
InChICode InChI=1S/C20H26O8/c1-9(12(23)8-22)18(25)27-13-6-20(3)14(24)5-4-11(7-21)16(20)17-15(13)10(2)19(26)28-17/h7,11-17,22-24H,1-2,4-6,8H2,3H3/t11-,12+,13+,14-,15-,16-,17+,20+/m1/s1
SMILES [C@H]12[C@@H]([C@H](C[C@@]3([C@@H]1[C@H](CC[C@H]3O)C=O)C)OC(=O)C(=C)[C@H](CO)O)C(=C)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea attica ssp.attica Ref.
PlantaeAsteraceaeCentaurea malacitana Ref.
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