input word = C00044795

Metabolite InformationStructural formula
Name Halisulfate 8
Formula C25H38O6S
Mw 466.23890968
CAS RN 577704-97-3
C_ID C00044795 ,
InChIKey HXZXVJCOLAWFQO-YFAYLSAYNA-N
InChICode InChI=1S/C25H38O6S/c1-18-8-9-22-23(14-21(26)15-24(22,2)3)25(18,4)12-10-19(17-31-32(27,28)29)6-5-7-20-11-13-30-16-20/h11,13-14,16,18-19,22H,5-10,12,15,17H2,1-4H3,(H,27,28,29)/t18-,19-,22-,25-/m0/s1
SMILES C[C@H]1CC[C@H]2C(=CC(=O)CC2(C)C)[C@@]1(C)CCC(CCCc1ccoc1)COS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaDarwinellidaeDarwinella australensis Ref.
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