input word = C00050115

Metabolite InformationStructural formula
Name Haliclostanone sulfate
(+)-Haliclostanone sulfate
Formula C28H48O10S
Mw 576.29681848
CAS RN 185420-75-1
C_ID C00050115 ,
InChIKey OEAYSNKGPYRKKO-OEXUBDFONA-N
InChICode InChI=1S/C28H48O10S/c1-12(2)13(3)9-17(29)14(4)16-10-18(30)21-20-15(7-8-27(16,21)5)28(6)11-19(38-39(35,36)37)23(31)25(33)22(28)26(34)24(20)32/h12-17,19-26,29,31-34H,7-11H2,1-6H3,(H,35,36,37)/t13-,14+,15+,16-,17+,19+,20-,21-,22-,23+,24-,25+,26-,27-,28-/m1/s1
SMILES [C@H]1([C@@H]([C@H]([C@H]2[C@](C1)([C@@H]1[C@@H]([C@H]([C@@H]2O)O)[C@@H]2[C@](CC1)([C@H](CC2=O)[C@@H]([C@H](C[C@@H](C)C(C)C)O)C)C)C)O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaChalinidaeHaliclona sp. Ref.
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OrganismHaliclona sp.
ReferenceSperry,J.Nat.Prod.,60,(1997),29