MALOLACTOMYCIN A ,135667-47-9 _Chemical Cloud Database

MALOLACTOMYCIN A

Basic Information
Product Name：	MALOLACTOMYCIN A
CAS：	135667-47-9
English Synonyms：	MALOLACTOMYCIN A
MDL Number.：	MFCD01939887
H bond acceptor：	23
H bond donor：	16
Smile：	CC1CC(CC2(C(C(CC(O2)CC(CC(CC(CC(C(C(/C=C/C=C/C(C(OC(=O)C(C(/C(=C/CC(C(C(CC(C(C(C1)O)C)O)O)C)O)/C)O)C)C(C)C/C(=C/CCCCCN=C(NC)NC)/C)C)O)C)O)O)O)OC(=O)CC(=O)O)O)O)O)O
InChi：	InChI=1S/C63H111N3O20/c1-35(18-14-12-13-17-23-66-62(64-10)65-11)24-39(5)59-38(4)19-15-16-20-49(70)40(6)52(73)29-45(68)27-44(67)28-47(84-57(79)33-56(77)78)30-48-31-55(76)60(81)63(83,86-48)34-46(69)25-36(2)26-51(72)42(8)54(75)32-53(74)41(7)50(71)22-21-37(3)58(80)43(9)61(82)85-59/h15-16,18-21,36,38-55,58-60,67-76,80-81,83H,12-14,17,22-34H2,1-11H3,(H,77,78)(H2,64,65,66)/b19-15+,20-16+,35-18+,37-21+
InChiKey：	InChIKey=KBXSAFVIONTLLW-CCRAGLEWSA-N

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