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Compounds

COMPOUND NPA002287

STRUCTURE
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PROPERTIES
NPAID NPA002287
CLUSTER ID 17
NODE ID 17
NAME Shearinine D
FORMULA C37H45NO6
MOLECULAR WEIGHT (Da) 599.7680
ACCURATE MASS (Da) 599.3247
ORIGIN ORGANISM TYPE Fungus
ORIGIN GENUS Penicillium
ORIGIN SPECIES sp HKI0459
InChIKey DFVYLDHDFLHIAA-UWMNKGBPSA-N
InChI InChI=1S/C37H45NO6/c1-31(2)17-23-19-15-24-20(14-21(19)28(40)27(23)32(3,4)43-31)22-13-18-9-10-36(41)26-16-25(39)30-33(5,6)44-37(26,42-30)12-11-34(36,7)35(18,8)29(22)38-24/h14-18,27-28,30,38,40-41H,9-13H2,1-8H3/t18-,27+,28+,30-,34+,35+,36+,37-/m0/s1
SMILES C[C@]12CC[C@]34C(=CC(=O)[C@H](O3)C(O4)(C)C)[C@@]1(CC[C@@H]5[C@@]2(C6=C(C5)C7=CC8=C(C=C7N6)C9=CC(OC([C@H]9[C@@H]8O)(C)C)(C)C)C)O
ORIGINAL ISOLATION REFERENCE
CITATION Xu, Minjuan; Gessner, Guido; Groth, Ingrid; Lange, Corinna; Christner, Arnulf; Bruhn, Torsten; Deng, Zhiwei; Li, Xiang; Heinemann, Stefan H.; Grabley, Susanne; Bringmann, Gerhard; Sattler, Isabel; Lin, Wenhan Shearinines D-K, new indole triterpenoids from an endophytic Penicillium sp. (strain HKI0459) with blocking activity on large-conductance calcium-activated potassium channels Tetrahedron 2007 63 (2) 435-444.
DOI 10.1016/j.tet.2006.10.050 PMID -
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Eukarya - 2759
Kingdom Fungi MycoBank 4751
Phylum Ascomycota MycoBank 4890
Class Eurotiomycetes MycoBank 147545
Order Eurotiales MycoBank 5042
Family Aspergillaceae MycoBank 1131492
Genus Penicillium MycoBank 5073
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