input word = C00031373

Metabolite InformationStructural formula
Name Shinjulactone H
Formula C20H28O6
Mw 364.18858863
CAS RN 4283-48-1
C_ID C00031373 ,
InChIKey HSTCACQRSLZQHZ-IMQZXMRHNA-N
InChICode InChI=1S/C20H28O6/c1-8-5-12(21)18(25)20(4)10(8)6-13-19(3)11(7-14(22)26-13)9(2)15(23)16(24)17(19)20/h8-13,15,17,21,23H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,13-,15+,17+,19-,20+/m1/s1
SMILES C[C@H]1[C@H](O)C(=O)[C@@H]2[C@@]3(C)C(=O)[C@@H](O)C[C@@H](C)[C@@H]3C[C@H]3OC(=O)C[C@@H]1[C@@]23C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
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