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Anastatin A

PropertiesImage
MNX_IDMNXM42040 Image of MNXM42040
referencechebi:187746
formulaC21H14O7
global charge0
mol weight378.336
InChIKeyDBSPNTHFWOUQFX-HNNXBMFYSA-N
InChIInChI=1S/C21H14O7/c22-10-3-1-9(2-4-10)15-7-14(25)20-18(27-15)8-17-19(21(20)26)11-5-12(23)13(24)6-16(11)28-17/h1-6,8,15,22-24,26H,7H2/t15-/m0/s1
SMILESO=C1C[C@@H](C2=CC=C(O)C=C2)OC2=C1C(O)=C1C(=C2)OC2=C1C=C(O)C(O)=C2
MNX internals
InChI (mnx)InChI=1/C21H14O7/c22-10-3-1-9(2-4-10)15-7-14(25)20-18(27-15)8-17-19(21(20)26)11-5-12(23)13(24)6-16(11)28-17/h1-6,8,15,22-24,26H,7H2/t15-/m0/s1 Image of MNXM42040
SMILES (mnx)[CH:1]1=[CH:3][C:10]([OH:22])=[CH:4][CH:2]=[C:9]1[C@@H:15]1[CH2:7][C:14](=[O:25])[C:20]2=[C:21]([OH:26])[C:19]3=[C:17]([CH:8]=[C:18]2[O:27]1)[O:28][C:16]1=[CH:6][C:13]([OH:24])=[C:12]([OH:23])[CH:5]=[C:11]13
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:187746
chebi:187746
DBSPNTHFWOUQFX-HNNXBMFYSA-N 		Anastatin A
(2S)-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-[1]benzouro[3,2-g]chromen-4-one

lipidmaps:LMPK12140273
lipidmapsM:LMPK12140273
DBSPNTHFWOUQFX-HNNXBMFYSA-N 		Anastatin A
(2S)-2,3-Dihydro-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-Benzofuro[3,2-g]-1-benzopyran-4-one