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Compounds

COMPOUND NPA002632

STRUCTURE
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PROPERTIES
NPAID NPA002632
CLUSTER ID 1549
NODE ID 1271
NAME Betaenone C
FORMULA C21H34O5
MOLECULAR WEIGHT (Da) 366.4980
ACCURATE MASS (Da) 366.2406
ORIGIN ORGANISM TYPE Fungus
ORIGIN GENUS Theissenia
ORIGIN SPECIES cinerea
InChIKey YRYPVWAJOMXOHH-ITBWMFDCSA-N
InChI InChI=1S/C21H34O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h8-9,12-14,16-17,22,25-26H,7,10-11H2,1-6H3/b9-8-/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1
SMILES CC[C@@H](C)[C@@H]1[C@]([C@H]2[C@@H](C[C@@](C[C@@H]2C(=O)[C@@]1(C)O)(C)O)C)(C)C(=O)/C=C\O
ORIGINAL ISOLATION REFERENCE
CITATION Ichihara, Akitami; Oikawa, Hideaki; Hashimoto, Masaaki; Sakamura, Sadao; Haraguchi, Tokuko; Nagano, Hiroshi A phytotoxin, betaenone C, and its related metabolites of Phoma betae Fr Agricultural and Biological Chemistry 1983 47 (12) 2965-2967.
DOI 10.1271/bbb1961.47.2965 PMID -
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Eukarya - 2759
Kingdom Fungi MycoBank 4751
Phylum Ascomycota MycoBank 4890
Class Sordariomycetes MycoBank 147550
Order Xylariales MycoBank 37989
Genus Theissenia MycoBank 419773
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