hordatine A
Chemical Formula:
C28H40N8O4
Molecular Weight:
552.675 Daltons
Monoisotopic Mass:
552.317251814 Daltons
SMILES:
C(CNC(C=CC2(C=C1(C(C(OC1=CC=2)C3(C=CC(O)=CC=3))C(NCCCC[N+]=C(N)N)=O)))=O)CC[N+]=C(N)N
InChI:
1S/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/p+2/b12-6+
InChIKey:
Databases
MetaCyc:
CPD-12232
PubChem (CID):
46173494
Seed:
cpd05222
HMDB:
HMDB30461
ChEBI:
5762
MetaNetX:
MNXM18540
KEGG:
C08307