Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:36:46 UTC
Update Date2022-08-31 06:25:13 UTC
Metabolite IDMMDBc0006370
Metabolite Identification
Common NameChromomycin A2
Description
Structure
SynonymsNot Available
Molecular FormulaC59H86O26
Average Mass1211.311
Monoisotopic Mass1210.540732889
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C59H86O26/c1-22(2)58(70)85-57-29(9)78-43(21-59(57,11)71)82-37-18-40(74-25(5)49(37)66)81-36-19-42(75-26(6)48(36)65)84-56-33(55(73-13)52(69)47(64)24(4)60)15-31-14-32-16-35(23(3)46(63)44(32)50(67)45(31)51(56)68)80-41-20-38(54(28(8)77-41)79-30(10)61)83-39-17-34(62)53(72-12)27(7)76-39/h14,16,22,24-29,33-34,36-43,47-49,53-57,60,62-67,71H,15,17-21H2,1-13H3/t24-,25-,26-,27-,28-,29+,33+,34-,36-,37-,38-,39-,40+,41+,42+,43+,47+,48-,49-,53+,54+,55+,56+,57+,59+/m1/s1
InChI KeyWPLCTUHONLQGIX-TWTCTLMISA-N