Concept information
Preferred term
فرادیمایسین A
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C39H42O14
inchi
- InChI=1S/C39H42O14/c1-19-25(51-28(41)11-9-7-6-8-10-26-20(2)52-37(5,53-26)21(3)40)14-15-27(50-19)22-12-13-23-29(31(22)42)32(43)24-16-17-38(48)18-36(4,47)34(45)35(46)39(38,49)30(24)33(23)44/h6-13,16-17,19-20,25-27,34,42,45,47-49H,14-15,18H2,1-5H3/b7-6+,10-8+,11-9+/t19-,20+,25+,26+,27-,34+,36-,37+,38+,39-/m1/s1
inchikey
- NTFLICHOHDNVDL-RGCLKTORSA-N
mass
- 734.751
monoisotopicmass
- 734.25746
smiles
- O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)[C@H](O)[C@@](O)(C)C4)O)[C@@H]5O[C@@H]([C@@H](OC(=O)/C=C/C=C/C=C/[C@@H]6O[C@](C(=O)C)(C)O[C@H]6C)CC5)C
subset
- 2_STAR
synonym EXACT
- [(2R,3S,6R)-6-[(2R,3R,4aR,12bS)-2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-9-yl]-2-methyloxan-3-yl] (2E,4E,6E)-7-[(2S,4S,5S)-2-acetyl-2,5-dimethyl-1,3-dioxolan-4-yl]hepta-2,4,6-trienoate
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:223438
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