input word = C00049701

Metabolite InformationStructural formula
Name Adociasulfate 9
(+)-Adociasulfate 9
Formula C36H54O7S
Mw 630.35902481
CAS RN 252034-37-0
C_ID C00049701 ,
InChIKey BIDYQFHHOZSRAF-AMGZJBBDNA-N
InChICode InChI=1S/C36H54O7S/c1-22(2)9-8-16-36(7)29(38)14-19-34(5)27-12-17-33(4)26(32(27,3)20-15-30(34)42-36)13-18-35(6)28(33)21-23-24(37)10-11-25(31(23)35)43-44(39,40)41/h9-11,26-30,37-38H,8,12-21H2,1-7H3,(H,39,40,41)/t26-,27+,28-,29+,30-,32+,33+,34-,35-,36+/m0/s1
SMILES C1[C@@H]2[C@]([C@H]3[C@](C1)(c1c(C3)c(ccc1OS(=O)(=O)O)O)C)(CC[C@@H]1[C@@]2(CC[C@H]2[C@]1(CC[C@H]([C@](O2)(CCC=C(C)C)C)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAdocidaeAdocia aculeata Ref.
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