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(4S)-2-acetyl-3,4,8,10,11,12-hexahydroxy-1,4-dihydrotetracen-1-one

MNXM97363 is deprecated and here replaced by MNXM1372599
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372599 Image of MNXM1372599
referencemetacycM:CPD-14359
formulaC20H13O8
global charge-1
mol weight381.316
InChIKeyLFWFYKQYOBSMSB-INIZCTEOSA-M
InChIInChI=1S/C20H14O8/c1-6(21)12-17(25)15-10(16(24)20(12)28)4-8-2-7-3-9(22)5-11(23)13(7)18(26)14(8)19(15)27/h2-5,16,22-24,26-28H,1H3/p-1/t16-/m0/s1
SMILESCC(=O)C1=C([O-])[C@@H](O)C2=CC3=C(C(O)=C4C(O)=CC(O)=CC4=C3)C(O)=C2C1=O
MNX internals
InChI (mnx)InChI=1/C20H14O8/c1-6(21)12-17(25)15-10(16(24)20(12)28)4-8-2-7-3-9(22)5-11(23)13(7)18(26)14(8)19(15)27/h2-5,16,22-24,26-28H,1H3/t16-/m0/s1 Image of MNXM1372599
SMILES (mnx)[CH3:1][C:6]([C:12]1=[C:20]([OH:28])[C@@H:16]([OH:24])[C:10]2=[C:15]([C:17]1=[O:25])[C:19]([OH:27])=[C:14]1[C:8](=[CH:4]2)[CH:2]=[C:7]2[CH:3]=[C:9]([OH:22])[CH:5]=[C:11]([OH:23])[C:13]2=[C:18]1[OH:26])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-14359
metacycM:CPD-14359
LFWFYKQYOBSMSB-INIZCTEOSA-M 		(4S)-2-acetyl-3,4,8,10,11,12-hexahydroxy-1,4-dihydrotetracen-1-one