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Montecristin

Properties

Image

Occurences in reactions

MNX_ID

MNXM128146

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₇H₆₆O₄

charge

mass

574.49611

reference

chebi:171952

InChIKey

ULFROYYCMRNCTL-HAVKIKKTSA-N

InChI

InChI=1S/C37H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-35(38)36(39)31-28-25-22-19-18-20-23-26-29-34-32-33(2)41-37(34)40/h14-15,21,24,32-33,35-36,38-39H,3-13,16-20,22-23,25-31H2,1-2H3/b15-14-,24-21-/t33-,35+,36+/m0/s1

SMILES

CCCCCCCCCCCC/C=C\CC/C=C\CC[C@@H](O)[C@H](O)CCCCCCCCCCC1=C[C@H](C)OC1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:171952 chebi:171952	Montecristin (2S)-4-[(11R,12R,15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-uran-5-one
hmdb:HMDB0029795	Montecristin 3-(11,12-Dihydroxy-15,19-dotriacontadienyl)-5-methyl-2(5H)-furanone, 9ci 3-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dien-1-yl]-5-methyl-2,5-dihydrofuran-2-one 3-[(15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dien-1-yl]-5-methyl-5H-furan-2-one
hmdb:HMDB29795	secondary/obsolete/fantasy identifier