Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA032776
PROPERTIES
NPAID | NPA032776 |
---|---|
CLUSTER ID | 9477 |
NODE ID | 1271 |
NAME | Stemphyloxin II |
FORMULA | C21H34O6 |
MOLECULAR WEIGHT (Da) | 382.4970 |
ACCURATE MASS (Da) | 382.2355 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Stemphylium |
ORIGIN SPECIES | botryosum f. sp. lycopersici |
InChIKey | JTFGPTHCAAUOQL-RNPLJHCFSA-N |
InChI | InChI=1S/C21H34O6/c1-6-12(9-22)16-19(4)15-11(2)7-18(3,25)8-13(15)21(27,20(16,5)26)14(10-23)17(19)24/h10-13,15-16,22-23,25-27H,6-9H2,1-5H3/b14-10+/t11-,12+,13+,15+,16-,18-,19-,20+,21+/m1/s1 |
SMILES | CC[C@@H](CO)[C@H]1[C@](C)(O)[C@@]2(O)/C(=C/O)C(=O)[C@]1(C)[C@@H]1[C@@H]2C[C@](C)(O)C[C@H]1C |
ORIGINAL ISOLATION REFERENCE
CITATION | Manulis, Shulamit; Kashman, Yoel; Netzer, David; Barash, Isaac PHYTOTOXINS FROM STEMPHYLIUM BOTRYOSUM: STRUCTURAL DETERMINATION OF STEMPHYLOXIN II, PRODUCTION IN CULTURE AND INTERACTION WITH IRON Phytochemistry 1984 23 (10) 2193-2198. | ||
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DOI | 10.1016/S0031-9422(00)80518-X | PMID | - |