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agavoside A

MNXM1107068 is deprecated and replaced by MNXM1107067
PropertiesImage
MNX_IDMNXM1107067 Image of MNXM1107067
referencechebi:2513
formulaC33H52O9
global charge0
mol weight592.77
InChIKeyNVCUAFIUMZCPGV-RGIGLGGVSA-N
InChIInChI=1S/C33H52O9/c1-16-7-10-33(39-15-16)17(2)26-23(42-33)12-22-20-6-5-18-11-19(40-30-29(38)28(37)27(36)24(14-34)41-30)8-9-31(18,3)21(20)13-25(35)32(22,26)4/h16-24,26-30,34,36-38H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24-,26+,27+,28+,29-,30-,31+,32-,33-/m1/s1
SMILESC[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C
MNX internals
InChI (mnx)InChI=1/C33H52O9/c1-16-7-10-33(39-15-16)17(2)26-23(42-33)12-22-20-6-5-18-11-19(40-30-29(38)28(37)27(36)24(14-34)41-30)8-9-31(18,3)21(20)13-25(35)32(22,26)4/h16-24,26-30,34,36-38H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24-,26+,27+,28+,29-,30-,31+,32-,33-/m1/s1 Image of MNXM1107067
SMILES (mnx)[CH3:1][C@@H:16]1[CH2:7][CH2:10][C@@:33]2([C@@H:17]([CH3:2])[C@H:26]3[C@H:23]([CH2:12][C@H:22]4[C@@H:20]5[CH2:6][CH2:5][C@H:18]6[CH2:11][C@@H:19]([O:40][C@H:30]7[C@H:29]([OH:38])[C@@H:28]([OH:37])[C@@H:27]([OH:36])[C@@H:24]([CH2:14][OH:34])[O:41]7)[CH2:8][CH2:9][C@:31]6([CH3:3])[C@H:21]5[CH2:13][C:25](=[O:35])[C@@:32]43[CH3:4])[O:42]2)[O:39][CH2:15]1
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:2513
chebi:2513
lipidmaps:LMST01080006
lipidmapsM:LMST01080006
NVCUAFIUMZCPGV-RGIGLGGVSA-N 		agavoside A
(25R)-12-oxo-5alpha-spirostan-3beta-yl beta-D-galactopyranoside
Agavosid A
Agavoside A

seed.compound:cpd05782
seedM:cpd05782
kegg.compound:C08885
keggC:C08885
NVCUAFIUMZCPGV-RGIGLGGVSA-N 		Agavoside A
hmdb:HMDB0034391
NVCUAFIUMZCPGV-UHFFFAOYSA-N 		Agavoside A
5,7',9',13'-tetramethyl-16'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10'-one
Agaveside a
Agavosid a

hmdb:HMDB34391
keggC:M_C08885
seedM:M_cpd05782 		secondary/obsolete/fantasy identifier