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Velatumin

PropertiesImage
MNX_IDMNXM113847 Image of MNXM113847
referencechebi:69889
formulaC15H20O5
global charge0
mol weight280.32
InChIKeyLVMASFUXMANZSS-HTJAIIGDSA-N
InChIInChI=1S/C15H20O5/c1-7-3-9(17)4-10-12(18)13-11(8(5-16)6-20-13)14(19)15(7,10)2/h6-7,9-10,14,16-17,19H,3-5H2,1-2H3/t7-,9+,10-,14+,15+/m0/s1
SMILESC[C@H]1C[C@@H](O)C[C@H]2C(=O)C3=C(C(CO)=CO3)[C@@H](O)[C@]12C
MNX internals
InChI (mnx)InChI=1/C15H20O5/c1-7-3-9(17)4-10-12(18)13-11(8(5-16)6-20-13)14(19)15(7,10)2/h6-7,9-10,14,16-17,19H,3-5H2,1-2H3/t7-,9+,10-,14+,15+/m0/s1 Image of MNXM113847
SMILES (mnx)[CH3:1][C@H:7]1[CH2:3][C@@H:9]([OH:17])[CH2:4][C@H:10]2[C:12](=[O:18])[C:13]3=[C:11]([C:8]([CH2:5][OH:16])=[CH:6][O:20]3)[C@@H:14]([OH:19])[C@:15]12[CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:69889
chebi:69889
LVMASFUXMANZSS-HTJAIIGDSA-N 		Velatumin
(4S,4aR,5S,7R,8aR)-4,7-Dihydroxy-3-(hydroxymethyl)-4a,5-dimethyl-4a,5,6,7,8,8a-hexahydronaphtho[2,3-b]furan-9(4H)-one