Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 20:45:38 UTC
Update Date2022-08-31 06:19:12 UTC
Metabolite IDMMDBc0002304
Metabolite Identification
Common NamePGL K8
Description
Structure
SynonymsNot Available
Molecular FormulaC53H90O18
Average Mass1015.285
Monoisotopic Mass1014.612716058
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C53H90O18/c1-14-19-30(5)49(58)67-37(22-18-17-21-29(4)39(16-3)60-10)28-38(68-50(59)31(6)20-15-2)27-35-23-25-36(26-24-35)69-52-47(62-12)44(41(55)33(8)65-52)71-53-48(63-13)45(42(56)34(9)66-53)70-51-46(61-11)43(57)40(54)32(7)64-51/h23-26,29-34,37-48,51-57H,14-22,27-28H2,1-13H3/t29?,30?,31?,32?,33?,34?,37?,38?,39?,40-,41+,42+,43?,44?,45?,46?,47?,48?,51+,52+,53+/m0/s1
InChI KeyNHXHDQFTVZUNTA-IHDDPFCSSA-N