input word = C00039506

Metabolite InformationStructural formula
Name Junceellonoid A
(+)-Junceellonoid A
Formula C28H37ClO11
Mw 584.20243974
CAS RN 804557-37-7
C_ID C00039506 ,
InChIKey XNQIHKSUFGTAOL-CENDLIBONA-N
InChICode InChI=1S/C28H37ClO11/c1-12-9-10-20(37-16(5)31)27(8)21(38-17(6)32)11-19(36-15(4)30)13(2)23(29)25-28(35,14(3)26(34)40-25)24(22(12)27)39-18(7)33/h14,19-25,35H,1-2,9-11H2,3-8H3/t14-,19+,20-,21-,22+,23-,24-,25-,27+,28+/m0/s1
SMILES C1CC(=C)[C@H]2[C@]([C@H]1OC(=O)C)([C@H](C[C@H](C(=C)[C@@H]([C@H]1[C@@]([C@H]2OC(=O)C)(O)[C@H](C(=O)O1)C)Cl)OC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella fragilis Ref.
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