input word = C00046411

Metabolite InformationStructural formula
Name Solenolide C
Formula C24H31ClO10
Mw 514.16057492
CAS RN 114094-32-5
C_ID C00046411 ,
InChIKey NNKPWYPLENHDSC-UHFFFAOYNA-N
InChICode InChI=1S/C24H31ClO10/c1-7-12-18(31-10(4)26)24(30)9(3)22(29)35-19(24)13(25)8(2)15-17(33-15)21(32-11(5)27)23(12,6)20-16(34-20)14(7)28/h7,9,12-21,28,30H,2H2,1,3-6H3/t7-,9-,12+,13-,14+,15+,16+,17-,18+,19+,20+,21-,23+,24-/m1/s1
SMILES [C@H]12[C@H]([C@@H]([C@@H]3[C@@]([C@H]1O2)([C@@H]([C@H]1[C@H](C(=C)[C@H]([C@H]2[C@]([C@H]3OC(=O)C)([C@@H](C(=O)O2)C)O)Cl)O1)OC(=O)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Braiareum stechei Ref.
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