Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA028998
PROPERTIES
NPAID | NPA028998 |
---|---|
CLUSTER ID | 2988 |
NODE ID | 2287 |
NAME | Cytoskyrin B |
FORMULA | C30H22O12 |
MOLECULAR WEIGHT (Da) | 574.4940 |
ACCURATE MASS (Da) | 574.1111 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Cytospora |
ORIGIN SPECIES | sp. |
InChIKey | SQMILYRPJCVQSQ-YKQFLFOBSA-N |
InChI | InChI=1S/C30H22O12/c1-41-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(42-2)6-12(14)32/h3-6,15-17,19-20,23-24,31-32,34-36H,1-2H3/t15?,16?,17?,19?,20?,23-,24+,29?,30?/m1/s1 |
SMILES | COC1=CC2=C(C(=O)C3C(=O)C4[C@H](O)C5C6[C@H](O)C(C(=O)C7=C(O)C8=C(C=C(OC)C=C8O)C(=O)C764)C35C2=O)C(O)=C1 |
ORIGINAL ISOLATION REFERENCE
CITATION | Brady SF; Singh MP; Janso JE; Clardy J Cytoskyrins A and B, new BIA active bisanthraquinones isolated from an endophytic fungus. Organic Letters 2000 2 (25) 4047-4049. | ||
---|---|---|---|
DOI | 10.1021/ol006681k | PMID | 11112640 |