12α,13α-dihydroxyfumitremorgin C
Chemical Formula:
C22H25N3O5
Molecular Weight:
411.457 Daltons
Monoisotopic Mass:
411.1794209286 Daltons
SMILES:
CC(C)=CC1(N4(C(O)(C(O)C3(=C1NC2(C=C(C=CC=23)OC)))C(N5([CH](C4=O)CCC5))=O))
InChI:
1S/C22H25N3O5/c1-11(2)9-16-18-17(13-7-6-12(30-3)10-14(13)23-18)19(26)22(29)21(28)24-8-4-5-15(24)20(27)25(16)22/h6-7,9-10,15-16,19,23,26,29H,4-5,8H2,1-3H3/t15-,16-,19-,22+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15268
KEGG:
C20605
PubChem (CID):
10001648
MetaboLights:
MTBLC72764
ChEBI:
72764
MetaNetX:
MNXM116146