Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA020789
PROPERTIES
NPAID | NPA020789 |
---|---|
CLUSTER ID | 1973 |
NODE ID | 1588 |
NAME | Actinoplanone E |
FORMULA | C31H29ClN2O10 |
MOLECULAR WEIGHT (Da) | 625.0300 |
ACCURATE MASS (Da) | 624.1511 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Actinoplanes |
ORIGIN SPECIES | sp. R-304 |
InChIKey | RXQNODYVXOZZIK-OSLIRNSNSA-N |
InChI | InChI=1S/C31H29ClN2O10/c1-10(2)33-34-11(3)23(32)13-6-12-7-16-19-21(17(12)24(36)18(13)31(34)39)26(38)22-25(37)20-15(40-4)8-14(35)27(41-5)29(20)44-30(22)28(19)43-9-42-16/h6,14-16,27,35-36,38H,7-9H2,1-5H3/t14-,15-,16-,27+/m0/s1 |
SMILES | CC1=C(C2=CC3=C(C4=C(C5=C(C6=C4[C@H](C3)OCO6)OC7=C(C5=O)[C@H](C[C@@H]([C@H]7OC)O)OC)O)C(=C2C(=O)N1N=C(C)C)O)Cl |
ORIGINAL ISOLATION REFERENCE
CITATION | Kobayashi K; Nishino C; Ohya J; Sato S; Mikawa T; Shiobara Y; Kodama M ACTINOPLANONES C, D, E, F AND G, NEW CYTOTOXIC POLYCYCLIC XANTHONES FROM ACTINOPLANES SP. Journal of Antibiotics 1988 41 (6) 741-750. | ||
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DOI | 10.7164/antibiotics.41.741 | PMID | 3403368 |