input word = C00031930

Metabolite InformationStructural formula
Name Junceellin
(-)-Junceellin
Formula C28H35ClO11
Mw 582.18678967
CAS RN 92508-09-3
C_ID C00031930 ,
InChIKey PXWWTSQKNXBHTK-YJBOFBFTNA-N
InChICode InChI=1S/C28H35ClO11/c1-11-9-10-18(35-14(4)30)27(8)19(11)23(37-16(6)32)28-13(3)26(34)39-24(28)20(29)12(2)21(40-28)22(36-15(5)31)25(27)38-17(7)33/h13,18-25H,1-2,9-10H2,3-8H3/t13-,18-,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@H]([C@@H]1C(=C)[C@@H]([C@H]3[C@@]([C@H]2OC(=O)C)(O1)[C@H](C(=O)O3)C)Cl)OC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Gorgonella umbraculum Ref.
--Junceella fragilis Ref.
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OrganismGorgonella umbraculum
ReferenceSubrahmanyam,J.Nat.Prod.,61,(1998),1120