input word = C00046758

Metabolite InformationStructural formula
Name Halistanol sulfate
Formula C29H52O12S3
Mw 688.26208932
CAS RN 103065-20-9
C_ID C00046758 ,
InChIKey UYXOPBYFUWYADH-XFEDNTLGNA-N
InChICode InChI=1S/C29H52O12S3/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)/t17-,18+,19+,20-,21+,22+,23-,24+,25+,26+,28-,29-/m1/s1
SMILES C[C@H](CC[C@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4C[C@H](OS(=O)(=O)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.
AnimaliaHalichondriidaeEpipolasis sp. Ref.
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OrganismHaliclona sp.
ReferenceSperry,J.Nat.Prod.,60,(1997),29