input word = C00015448

Metabolite InformationStructural formula
Name L 681512-3
Formula C48H80O12S
Mw 880.53704875
CAS RN 128348-75-2
C_ID C00015448 ,
InChIKey LGHUFCYDBTXXCS-WSOJBTNENA-N
InChICode InChI=1S/C48H80O12S/c1-32(27-28-48(31-57-48)45(5,6)53)35-24-25-36-34-23-26-38-44(3,4)42(60-61(54,55)56)37(30-46(38,7)40(34)41(52)43(47(35,36)8)58-33(2)50)59-39(51)22-20-18-16-14-12-10-9-11-13-15-17-19-21-29-49/h25,32,35,37-38,41-43,49,52-53H,9-24,26-31H2,1-8H3,(H,54,55,56)/t32-,35-,37-,38-,41-,42+,43+,46+,47-,48-/m1/s1
SMILES CC(=O)O[C@H]1[C@H](O)C2=C(CC[C@H]3C(C)(C)[C@@H](OS(=O)(=O)O)[C@H](OC(=O)CCCCCCCCCCCCCCCO)C[C@]23C)C2=CC[C@H]([C@H](C)CCC3(C(C)(C)O)CO3)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sp. FO-6651 Ref.
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