Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:39:13 UTC
Update Date2022-08-31 06:25:23 UTC
Metabolite IDMMDBc0006451
Metabolite Identification
Common NameIsopyoverdin
Description
Structure
SynonymsNot Available
Molecular FormulaC49H72N13O22
Average Mass1195.183
Monoisotopic Mass1194.490937431
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C49H71N13O22/c1-19(63)34(43(75)55-26-8-6-13-62(84)47(26)79)58-44(76)36(21(3)65)59-46(78)37(38(71)49(82)83)60-45(77)35(20(2)64)57-41(73)24(7-4-5-12-50)54-42(74)28(17-33(69)70)56-40(72)25-11-14-61-29-18-31(67)30(66)16-22(29)15-27(39(61)53-25)52-32(68)10-9-23(51)48(80)81/h15-16,18-21,23-26,28,34-38,63-65,71,84H,4-14,17,50-51H2,1-3H3,(H13,52,53,54,55,56,57,58,59,60,66,67,68,69,70,72,73,74,75,76,77,78,80,81,82,83)/p+1/t19?,20?,21?,23?,24?,25-,26?,28?,34?,35?,36?,37?,38?/m0/s1
InChI KeyPZQCHSXMTTXPQG-SKBYGJNKSA-O