input word = C00038347

Metabolite InformationStructural formula
Name Acanthosulfate
(-)-Acanthosulfate
Formula C31H46O9S2
Mw 626.25832453
CAS RN 1008094-74-3
C_ID C00038347 ,
InChIKey MAGSVXHKGFRXIN-IUJKDQFNNA-N
InChICode InChI=1S/C31H46O9S2/c1-27(2)11-7-12-28(3)21(27)8-13-29(4)22(28)9-14-30(5)23(29)10-15-31(6)24(30)16-18-20(39-41(33,34)35)17-19(32)26(25(18)31)40-42(36,37)38/h17,21-24,32H,7-16H2,1-6H3,(H,33,34,35)(H,36,37,38)/t21-,22+,23+,24-,28-,29+,30+,31-/m0/s1
SMILES CC1(C)CCC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@]5(C)c6c(c(OS(=O)(=O)O)cc(O)c6OS(=O)(=O)O)C[C@@H]45)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDictyodendrillidaeAcanthodendrilla sp. Ref.
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