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 CC(C)C(C)CC(O)[C@@H](C)[C@H]1CC(=O)[C@@H]2[C@@H]3[C@@H](O)[C@H](O)[C@H]4[C@H](O)[C@H](O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaChalinidaeHaliclona sp. Ref.
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