Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 03:36:00 UTC
Update Date2022-08-31 06:33:45 UTC
Metabolite IDMMDBc0011907
Metabolite Identification
Common NameHomocereulide
Description
Structure
SynonymsNot Available
Molecular FormulaC58H98N6O18
Average Mass1167.446
Monoisotopic Mass1166.69376034
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C58H98N6O18/c1-22-34(18)46-52(70)64-43(31(12)13)58(76)79-39(24-27(4)5)48(66)60-36(20)54(72)81-44(32(14)15)50(68)62-41(29(8)9)56(74)77-38(23-26(2)3)47(65)59-35(19)53(71)80-45(33(16)17)51(69)63-42(30(10)11)57(75)78-40(25-28(6)7)49(67)61-37(21)55(73)82-46/h26-46H,22-25H2,1-21H3,(H,59,65)(H,60,66)(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t34-,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?/m0/s1
InChI KeyCFCIXEUIPLBOOH-SORGKVSXSA-N