input word = C00038110

Metabolite InformationStructural formula
Name 1,2-Dihydrodaphnetoxin
Formula C27H32O8
Mw 484.209718
CAS RN 124903-93-1
C_ID C00038110 ,
InChIKey DCEQVWXGYOZDOH-QQQVESQLNA-N
InChICode InChI=1S/C27H32O8/c1-13(2)23-11-15(4)26-17-10-14(3)19(29)25(17,31)22(30)24(12-28)21(32-24)18(26)20(23)33-27(34-23,35-26)16-8-6-5-7-9-16/h5-9,14-15,17-18,20-22,28,30-31H,1,10-12H2,2-4H3/t14-,15+,17+,18+,20+,21-,22+,23+,24-,25+,26-,27-/m0/s1
SMILES C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](c5ccccc5)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)C[C@H]14)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne oleoides ssp.oleoides Ref.
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