input word = C00047143

Metabolite InformationStructural formula
Name 25-Hydroxyhalisulfate 9
(-)-25-Hydroxyhalisulfate 9
Formula C25H40O7S
Mw 484.24947436
CAS RN 1121913-41-4
C_ID C00047143 ,
InChIKey UTGHYWBAVNHHJG-FGHHIHCPNA-N
InChICode InChI=1S/C25H40O7S/c1-17-10-11-20-21(9-6-13-24(20,2)3)25(17,4)14-12-18(16-31-33(28,29)30)7-5-8-19-15-22(26)32-23(19)27/h9,15,17-18,20,23,27H,5-8,10-14,16H2,1-4H3,(H,28,29,30)/t17-,18+,20-,23+,25-/m0/s1
SMILES [C@@H]1(CC[C@H]2C(=CCCC2(C)C)[C@]1(CC[C@@H](CCCC1=CC(=O)O[C@H]1O)COS(=O)(=O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Fasciospongia sp. Ref.
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