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oleandolide

PropertiesImage
MNX_IDMNXM5862 Image of MNXM5862
referencechebi:29658
formulaC20H34O7
global charge0
mol weight386.485
InChIKeyPFDLUBNRHMFBGI-HRVFELILSA-N
InChIInChI=1S/C20H34O7/c1-9-7-20(8-26-20)18(24)12(4)16(22)10(2)14(6)27-19(25)13(5)17(23)11(3)15(9)21/h9-17,21-23H,7-8H2,1-6H3/t9-,10-,11+,12+,13+,14+,15-,16-,17-,20+/m0/s1
SMILESC[C@@H]1[C@@H](O)[C@@H](C)C[C@@]2(CO2)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C20H34O7/c1-9-7-20(8-26-20)18(24)12(4)16(22)10(2)14(6)27-19(25)13(5)17(23)11(3)15(9)21/h9-17,21-23H,7-8H2,1-6H3/t9-,10-,11+,12+,13+,14+,15-,16-,17-,20+/m0/s1 Image of MNXM5862
SMILES (mnx)[CH3:1][C@H:9]1[CH2:7][C@@:20]2([CH2:8][O:26]2)[C:18](=[O:24])[C@H:12]([CH3:4])[C@@H:16]([OH:22])[C@@H:10]([CH3:2])[C@@H:14]([CH3:6])[O:27][C:19](=[O:25])[C@H:13]([CH3:5])[C@@H:17]([OH:23])[C@H:11]([CH3:3])[C@H:15]1[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:29658
chebi:29658
PFDLUBNRHMFBGI-HRVFELILSA-N 		oleandolide
(-)-oleandolide
(3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6,12,14-trihydroxy-5,7,8,11,13,15-hexamethyl-1,9-dioxaspiro[2.13]hexadecane-4,10-dione
Oleandolide
Oleandomycin aglycone
Oleandonolide

kegg.compound:C11990
keggC:C11990
lipidmaps:LMPK04000031
lipidmapsM:LMPK04000031
PFDLUBNRHMFBGI-HRVFELILSA-N 		Oleandolide

seed.compound:cpd08787
seedM:cpd08787
PFDLUBNRHMFBGI-HRVFELILSA-N 		Oleandolide
oleandolide

metacyc.compound:CPD-13827
metacycM:CPD-13827
PFDLUBNRHMFBGI-HRVFELILSA-N 		oleandolide

keggC:M_C11990
seedM:M_cpd08787 		secondary/obsolete/fantasy identifier