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marinolate C

Properties

Image

Occurences in reactions

MNX_ID

MNXM168296

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₅H₄₁O₈

charge

-1

mass

469.28069

reference

chebi:142975

InChIKey

RJHPSMAZNAJFHT-YUDKCSBMSA-M

InChI

InChI=1S/C25H42O8/c1-17(15-23(29)32-13-8-6-4-5-7-12-22(27)28)14-21-25(31)24(30)20(16-33-21)11-9-10-18(2)19(3)26/h9-10,15,18-21,24-26,30-31H,4-8,11-14,16H2,1-3H3,(H,27,28)/p-1/b10-9+,17-15+/t18-,19+,20+,21+,24-,25+/m1/s1

SMILES

C/C(=C\C(=O)OCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:142975 chebi:142975	marinolate C (2E)-4-{(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2E,4R,5S)-5-hydroxy-4-methylhex-2-en-1-yl]oxan-2-yl}-3-methylbut-2-enoate
metacyc.compound:CPD-18978 metacycM:CPD-18978	marinolic acid C
CHEBI:144638 chebi:144638	marinolic acid C 7-carboxyheptyl (2E)-5,9-anhydro-2,3,4,8-tetradeoxy-8-[(2E,4R,5S)-5-hydroxy-4-methylhex-2-en-1-yl]-3-methyl-L-talo-non-2-enonate 8-{[(2E)-4-{(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2E,4R,5S)-5-hydroxy-4-methylhex-2-en-1-yl]oxan-2-yl}-3-methylbut-2-enoyl]oxy}octanoic acid