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Compounds

COMPOUND NPA007127

STRUCTURE
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PROPERTIES
NPAID NPA007127
CLUSTER ID 3216
NODE ID 28
NAME Antrodin C
FORMULA C15H24O2
MOLECULAR WEIGHT (Da) 236.3550
ACCURATE MASS (Da) 236.1776
ORIGIN ORGANISM TYPE Fungus
ORIGIN GENUS Antrodiella
ORIGIN SPECIES albocinnamomea
InChIKey QRVSAVYBBHXMDC-OJJZAMTBSA-N
InChI InChI=1S/C15H24O2/c1-8-12(16)5-11-9-6-14(2,3)7-10(9)13(17)15(8,11)4/h5,8-10,12-13,16-17H,6-7H2,1-4H3/t8-,9-,10+,12+,13+,15+/m1/s1
SMILES C[C@@H]1[C@@H](O)C=C2[C@@H]3CC(C)(C)C[C@@H]3[C@H](O)[C@]21C
ORIGINAL ISOLATION REFERENCE
CITATION Chen, Zi-Ming; Chen, He-Ping; Wang, Fang; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai New triquinane and gymnomitrane sesquiterpenes from fermentation of the basidiomycete Antrodiella albocinnamomea Fitoterapia 2015 102 61-66.
DOI 10.1016/j.fitote.2015.02.005 PMID 25704368
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Eukarya - 2759
Kingdom Fungi MycoBank 4751
Phylum Basidiomycota MycoBank 5204
Class Agaricomycetes MycoBank 155619
Order Polyporales MycoBank 5303
Family Phanerochaetaceae MycoBank 396331
Genus Antrodiella MycoBank 81041
REVISIONS
VERSION SMILES CITATION
Original Isolation C[C@@H]1[C@@H](C=C2[C@]1([C@H]([C@@H]3[C@H]2CC(C3)(C)C)O)C)O Chen, Zi-Ming; Chen, He-Ping; Wang, Fang; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai New triquinane and gymnomitrane sesquiterpenes from fermentation of the basidiomycete Antrodiella albocinnamomea Fitoterapia 2015 102 61-66. DOI: 10.1016/j.fitote.2015.02.005 PMID: 25704368
2 C[C@@H]1[C@@H](O)C=C2[C@@H]3CC(C)(C)C[C@@H]3[C@H](O)[C@]21C Kutateladze, Andrei G; Kuznetsov, Dmitry M Triquinanes and Related Sesquiterpenes Revisited Computationally: Structure Corrections of Hirsutanols B and D, Hirsutenol E, Cucumin B, Antrodins C-E, Chondroterpenes A and H, Chondrosterins C and E, Dichrocephone A, and Pethybrene. Journal of Organic Chemistry 2017 82 (20) 10795-10802. DOI: 10.1021/acs.joc.7b02018 PMID: 28886245
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