des-acyl avenacin A
Chemical Formula:
C47H76O20
Molecular Weight:
961.105 Daltons
Monoisotopic Mass:
960.4929948816 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]9(C(C)5CCC(OC8(OCC(OC6(OC(CO)C(O)C(O)C(O)6))C(O)C(OC7(OC(CO)C(O)C(O)C(O)7))8))C(CO)(C)9)))))
InChI:
1S/C47H76O20/c1-41(18-50)12-25-43(3,13-26(41)52)27(53)14-46(6)45(5)10-7-23-42(2,24(45)11-29-47(25,46)67-29)9-8-28(44(23,4)19-51)65-40-37(66-39-36(60)34(58)31(55)21(16-49)63-39)32(56)22(17-61-40)64-38-35(59)33(57)30(54)20(15-48)62-38/h18,20-40,48-49,51-60H,7-17,19H2,1-6H3/t20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46+,47-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-16623
PubChem (CID):
90657310
MetaNetX:
MNXM146544