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(1'S,5'S)-averufin

PropertiesImage
MNX_IDMNXM9370 Image of MNXM9370
referencechebi:71537
formulaC20H16O7
global charge0
mol weight368.341
InChIKeyRYFFZJHGQCKWMV-YUNKPMOVSA-N
InChIInChI=1S/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12-,20-/m0/s1
SMILESC[C@]12CCC[C@H](O1)C1=C(C=C3C(=O)C4=C(C(=O)C3=C1O)C(O)=CC(O)=C4)O2
MNX internals
InChI (mnx)InChI=1/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12-,20-/m0/s1 Image of MNXM9370
SMILES (mnx)[CH3:1][C@@:20]12[CH2:4][CH2:2][CH2:3][C@@H:12]([C:16]3=[C:19]([OH:25])[C:15]4=[C:10]([CH:7]=[C:13]3[O:27]1)[C:17](=[O:23])[C:9]1=[C:14]([C:11]([OH:22])=[CH:6][C:8]([OH:21])=[CH:5]1)[C:18]4=[O:24])[O:26]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71537
chebi:71537
RYFFZJHGQCKWMV-YUNKPMOVSA-N 		(1'S,5'S)-averufin
(2S,6S)-7,9,11-trihydroxy-2-methyl-3,4,5,6-tetrahydro-2H-2,6-epoxyanthra[2,3-b]oxocine-8,13-dione

kegg.compound:C20574
keggC:C20574
RYFFZJHGQCKWMV-YUNKPMOVSA-N 		(1'S,5'S)-Averufin

metacyc.compound:CPD-10167
metacycM:CPD-10167
RYFFZJHGQCKWMV-YUNKPMOVSA-M 		(1'S,5'S)-averufin

seed.compound:cpd22587
seedM:cpd22587
RYFFZJHGQCKWMV-YUNKPMOVSA-N 		(1'S,5'S)-averufin
(1'S,5'S)-Averufin

keggC:M_C20574
seedM:M_cpd22587 		secondary/obsolete/fantasy identifier