input word = C00041321

Metabolite InformationStructural formula
Name Adociasulfate 6
(-)-Adociasulfate 6
Formula C36H54O6S
Mw 614.36411019
CAS RN 242459-69-4
C_ID C00041321 ,
InChIKey IFUVGBNBURLQLI-YHVAKACXNA-N
InChICode InChI=1S/C36H54O6S/c1-31(2)15-8-16-36(7)25(31)11-18-34(5)27-12-17-33(4)26(32(27,3)20-14-29(34)41-36)13-19-35(6)28(33)21-22-23(37)9-10-24(30(22)35)42-43(38,39)40/h9-10,25-29,37H,8,11-21H2,1-7H3,(H,38,39,40)/t25-,26+,27+,28-,29-,32+,33+,34-,35-,36-/m0/s1
SMILES [C@]12([C@H](CC[C@]3([C@H]1Cc1c3c(ccc1O)OS(=O)(=O)O)C)[C@@]1([C@@H](CC2)[C@]2([C@H](CC1)O[C@@]1([C@@H](CC2)C(CCC1)(C)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaChalinidaeHaliclona sp. Ref.
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OrganismHaliclona sp.
ReferenceWest,J.Nat.Prod.,69,(2006),1001