input word = C00050370

Metabolite InformationStructural formula
Name Ircinianin sulfate
(-)-Ircinianin sulfate
Formula C24H30O7S
Mw 462.17122404
CAS RN 197582-60-8
C_ID C00050370 ,
InChIKey UMNWICRUKDNAMG-FJGPDXPONA-N
InChICode InChI=1S/C24H30O7S/c1-15(5-4-6-18-11-12-29-14-18)13-20-10-9-19-8-7-16(2)21(19)24(20)22(31-32(26,27)28)17(3)23(25)30-24/h9-14,16,19-21H,4-8H2,1-3H3,(H,26,27,28)/b15-13+/t16-,19+,20-,21+,24+/m0/s1
SMILES C1=C[C@@H]2[C@H]([C@@]3([C@@H]1/C=C(/CCCc1ccoc1)\C)OC(=O)C(=C3OS(=O)(=O)O)C)[C@H](CC2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaIrciniidaeIrcinia wistarii Ref.
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OrganismIrcinia wistarii
ReferenceColl,J.Nat.Prod.,60,(1997),1178