demycosaminyl-candicidin III

Chemical Formula:

C₅₃H₇₂NO₁₅

Molecular Weight:

963.149 Daltons

Monoisotopic Mass:

963.4980206800001 Daltons

SMILES:

CC2(C=CC=CC=CC=CC=CC=CC=CC(O)CC1(OC(O)(CC(O)C1C(=O)[O-])CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC2C(C)CC(C)C(O)CC(=O)C3(C=CC(N)=CC=3)))

InChI:

1S/C53H73NO15/c1-34-17-14-12-10-8-6-4-5-7-9-11-13-15-18-40(56)29-48-50(52(65)66)47(63)33-53(67,69-48)32-44(60)28-43(59)27-42(58)26-39(55)19-16-20-41(57)30-49(64)68-51(34)36(3)25-35(2)45(61)31-46(62)37-21-23-38(54)24-22-37/h4-15,17-18,21-24,34-36,40,42-45,47-48,50-51,56,58-61,63,67H,16,19-20,25-33,54H2,1-3H3,(H,65,66)/p-1/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,18-15+

InChIKey:

GYOIPHVRAVLBPP-WTLIXQLZSA-M

Synonyms

demycosaminyl-candicidin D

Databases

MetaCyc: CPD-17207

PubChem (CID): 91820077

MetaNetX: MNXM148208