input word = C00048099

Metabolite InformationStructural formula
Name Scalarafuran
Formula C27H40O4
Mw 428.29265977
CAS RN 62008-03-1
C_ID C00048099 ,
InChIKey JRKYCNUZXAQLDW-RIBURVGJNA-N
InChICode InChI=1S/C27H40O4/c1-16(28)31-19-12-22-26(5)11-8-20-24(2,3)9-7-10-25(20,4)21(26)13-23(29)27(22,6)18-15-30-14-17(18)19/h14-15,19-23,29H,7-13H2,1-6H3/t19-,20-,21+,22-,23+,25-,26+,27+/m0/s1
SMILES CC(=O)O[C@H]1C[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3C[C@@H](O)[C@]2(C)c2cocc21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hyrtios gumminae Ref.
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