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squamostatin-A

Properties

Image

Occurences in reactions

MNX_ID

MNXM109001

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

formula

C₃₇H₆₆O₈

charge

mass

638.47577

reference

chebi:68973

InChIKey

HKIHGTSLUYNNHM-LIASLPPCSA-N

InChI

InChI=1S/C37H66O8/c1-3-4-5-12-16-29(38)17-14-19-31(39)35-24-25-36(45-35)33(41)22-21-32(40)34-23-20-30(44-34)18-13-10-8-6-7-9-11-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29-,30+,31-,32-,33+,34-,35+,36+/m0/s1

SMILES

CCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@H]([C@H](O)CC[C@H](O)[C@@H]2CC[C@@H](CCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68973 chebi:68973	squamostatin-A (5S)-3-(9-{(2R,5S)-5-[(1S,4R)-4-{(2R,5R)-5-[(1S,5S)-1,5-Dihydroxyundecyl]tetrahydro-2-furanyl}-1,4-dihydroxybutyl]tetrahydro-2-furanyl}nonyl)-5-methyl-2(5H)-furanone
hmdb:HMDB0033423	12,15-cis-Squamostatin A 3-[9-(5-{4-[5-(1,5-dihydroxyundecyl)oxolan-2-yl]-1,4-dihydroxybutyl}oxolan-2-yl)nonyl]-5-methyl-2,5-dihydrofuran-2-one 3-[9-(5-{4-[5-(1,5-dihydroxyundecyl)oxolan-2-yl]-1,4-dihydroxybutyl}oxolan-2-yl)nonyl]-5-methyl-5H-furan-2-one
hmdb:HMDB33423	secondary/obsolete/fantasy identifier