input word = C00039503

Metabolite InformationStructural formula
Name Junceellolide B
Formula C26H33ClO9
Mw 524.18131036
CAS RN 121798-80-9
C_ID C00039503 ,
InChIKey XRSZLHXKKDYWLK-PKNBQFBNNA-N
InChICode InChI=1S/C26H33ClO9/c1-12-8-10-18(33-15(4)28)25(7)19(34-16(5)29)11-9-13(2)21(27)23-26(32,14(3)24(31)36-23)22(20(12)25)35-17(6)30/h9,11,14,18-23,32H,1-2,8,10H2,3-7H3/b11-9+/t14-,18-,19+,20+,21-,22-,23-,25-,26+/m1/s1
SMILES C1CC(=C)[C@@H]2[C@]([C@@H]1OC(=O)C)([C@H](/C=C/C(=C)[C@H]([C@@H]1[C@]([C@@H]2OC(=O)C)(O)[C@@H](C(=O)O1)C)Cl)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella fragilis Ref.
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OrganismJunceella fragilis
ReferenceLiaw,J.Nat.Prod.,71,(2008),1551