input word = C00031372

Metabolite InformationStructural formula
Name Shinjulactone C
(-)-Shinjulactone C
Formula C20H22O7
Mw 374.13655306
CAS RN 82470-74-4
C_ID C00031372 ,
InChIKey QUDGSOQXSJGXMH-RYPYINMQNA-N
InChICode InChI=1S/C20H22O7/c1-8-4-10(22)19(25)16(3)13-14(24)20(19,26)15(2)9-5-12(23)27-11(6-18(8,15)16)17(9,13)7-21/h4,9,11,13,21,25-26H,5-7H2,1-3H3/t9-,11?,13+,15+,16+,17?,18+,19+,20-/m0/s1
SMILES C1(=O)[C@H]2[C@@]3(CO)[C@H]4C[C@]56[C@@]([C@@H]3CC(=O)O4)([C@@]1([C@@](C(=O)C=C5C)([C@]26C)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
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