input word = C00038397

Metabolite InformationStructural formula
Name Akaterpin
Formula C36H43O8S2
Mw 667.23993481
CAS RN 188576-24-1
C_ID C00038397 ,
InChIKey WPZZPAXWWVBFBJ-MVRVBZAANA-N
InChICode InChI=1S/C36H54O8S2/c1-24-13-15-29-30(11-9-18-33(29,4)5)34(24,6)20-21-36-19-17-25(2)35(7,32(36)12-8-10-26(36)3)23-27-22-28(43-45(37,38)39)14-16-31(27)44-46(40,41)42/h14-16,22,24-25,30,32H,3,8-13,17-21,23H2,1-2,4-7H3,(H,37,38,39)(H,40,41,42)/t24-,25+,30+,32-,34+,35+,36+/m0/s1
SMILES C1[C@H]([C@]([C@H]2[C@@](C1)(C(=C)CCC2)CC[C@@]1([C@H](CC=C2[C@H]1CCCC2(C)C)C)C)(Cc1cc(ccc1OS(=O)(=O)O)OS(=O)(=O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Callyspongia sp. Ref.
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