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premithramycin A2'

MNXM92602 is deprecated and here replaced by MNXM1372562
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372562 Image of MNXM1372562
referencechebi:32047
formulaC33H38O15
global charge0
mol weight674.652
InChIKeyFANJWAKCIVIYMP-JYVXNHNOSA-N
InChIInChI=1S/C33H38O15/c1-11(34)23-29(41)30(44-4)17-7-15-5-14-6-16(35)8-18(36)24(14)28(40)25(15)32(43)33(17,31(23)42)48-22-10-20(27(39)13(3)46-22)47-21-9-19(37)26(38)12(2)45-21/h5-6,8,12-13,17,19-22,26-27,30,35-41H,7,9-10H2,1-4H3/t12-,13-,17+,19-,20-,21+,22+,26+,27-,30+,33-/m1/s1
SMILESCO[C@@H]1C(O)=C(C(C)=O)C(=O)[C@@]2(O[C@H]3C[C@@H](O[C@H]4C[C@@H](O)[C@@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)C(=O)C3=C(O)C4=C(O)C=C(O)C=C4C=C3C[C@@H]12
MNX internals
InChI (mnx)InChI=1/C33H38O15/c1-11(34)23-29(41)30(44-4)17-7-15-5-14-6-16(35)8-18(36)24(14)28(40)25(15)32(43)33(17,31(23)42)48-22-10-20(27(39)13(3)46-22)47-21-9-19(37)26(38)12(2)45-21/h5-6,8,12-13,17,19-22,26-27,30,35-41H,7,9-10H2,1-4H3/t12-,13-,17+,19-,20-,21+,22+,26+,27-,30+,33-/m1/s1 Image of MNXM1372562
SMILES (mnx)[CH3:1][C:11]([C:23]1=[C:29]([OH:41])[C@@H:30]([O:44][CH3:4])[C@@H:17]2[CH2:7][C:15]3=[C:25]([C:28]([OH:40])=[C:24]4[C:14](=[CH:5]3)[CH:6]=[C:16]([OH:35])[CH:8]=[C:18]4[OH:36])[C:32](=[O:43])[C@:33]2([O:48][C@H:22]2[CH2:10][C@@H:20]([O:47][C@H:21]3[CH2:9][C@@H:19]([OH:37])[C@@H:26]([OH:38])[C@@H:12]([CH3:2])[O:45]3)[C@H:27]([OH:39])[C@@H:13]([CH3:3])[O:46]2)[C:31]1=[O:42])=[O:34]
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

CHEBI:32047
chebi:32047
FANJWAKCIVIYMP-JYVXNHNOSA-N 		premithramycin A2'
(1S,4aS,12aS)-3-acetyl-2,6,7,9-tetrahydroxy-1-methoxy-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranoside
premithramycin A2

kegg.compound:C12385
keggC:C12385
FANJWAKCIVIYMP-JYVXNHNOSA-N 		Premithramycin A2'

metacyc.compound:CPD-14347
metacycM:CPD-14347
FANJWAKCIVIYMP-JYVXNHNOSA-N 		premithramycin A2

keggC:M_C12385 		secondary/obsolete/fantasy identifier