monodeglucosyl des-acyl avenacin A
Chemical Formula:
C41H66O15
Molecular Weight:
798.963 Daltons
Monoisotopic Mass:
798.4401714501 Daltons
SMILES:
CC1(C=O)(C(O)CC3(C)([CH](C1)C24(OC2C[CH]5(C(C)(C(C)(CC(O)3)4)CC[CH]8(C(C)5CCC(OC7(OCC(O)C(O)C(OC6(OC(CO)C(O)C(O)C(O)6))7))C(CO)(C)8)))))
InChI:
1S/C41H66O15/c1-35(17-43)12-23-37(3,13-24(35)46)25(47)14-40(6)39(5)10-7-21-36(2,22(39)11-27-41(23,40)56-27)9-8-26(38(21,4)18-44)54-34-32(28(48)19(45)16-52-34)55-33-31(51)30(50)29(49)20(15-42)53-33/h17,19-34,42,44-51H,7-16,18H2,1-6H3/t19-,20+,21+,22+,23+,24-,25-,26-,27+,28-,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-16625
PubChem (CID):
90657645
MetaNetX:
MNXM148358