input word = C00003418

Metabolite InformationStructural formula
Name Cotylenin F
Formula C33H54O11
Mw 626.36661257
CAS RN 58045-03-7
C_ID C00003418 ,
InChIKey ZLOOJZZIGCIITD-GIAIWUMONA-N
InChICode InChI=1S/C33H54O11/c1-17(2)19-8-10-31(4)12-21-20(9-11-33(21,38)16-40-7)18(3)25(35)29(24(19)31)43-30-27(37)26(36)28(22(42-30)13-39-6)44-32(5,15-34)23-14-41-23/h12,17-18,20,22-23,25-30,34-38H,8-11,13-16H2,1-7H3/b21-12+/t18-,20+,22-,23+,25-,26+,27+,28-,29-,30+,31-,32-,33+/m1/s1
SMILES [C@H]1([C@@H]([C@H]2C(=C[C@@]3(C(=C(CC3)C(C)C)[C@H]1O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)COC)O[C@]([C@@H]1CO1)(C)CO)O)O)C)[C@@](CC2)(O)COC)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiDavidiellaceaeCladosporium sp. Ref.
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OrganismCladosporium sp.
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter52