avenacin A-1

Chemical Formula:

C₅₅H₈₃NO₂₁

Molecular Weight:

1094.255 Daltons

Monoisotopic Mass:

1094.255 Daltons

InChI:

1S/C55H83NO21/c1-49(23-59)17-32-51(3,19-36(49)74-45(69)25-10-8-9-11-26(25)56-7)33(61)18-54(6)53(5)15-12-30-50(2,31(53)16-35-55(32,54)77-35)14-13-34(52(30,4)24-60)75-48-44(76-47-43(68)41(66)38(63)28(21-58)72-47)39(64)29(22-70-48)73-46-42(67)40(65)37(62)27(20-57)71-46/h8-11,23,27-44,46-48,56-58,60-68H,12-22,24H2,1-7H3/t27-,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42-,43-,44-,46+,47+,48+,49+,50+,51+,52+,53-,54+,55-/m1/s1

InChIKey:

SYXUBXTYGFJFEH-PFTGTSLFSA-N

Synonyms

oat triterpenoid saponin

Databases

Seed: cpd05822

HMDB: HMDB34548

MetaNetX: MNXM43050

KEGG: C08926

PubChem (CID): 441907

ChEBI: 27408

ChemSpider: 152437

MetaCyc: CPD-10678