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Compounds

COMPOUND NPA023795

STRUCTURE

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PROPERTIES

NPAID	NPA023795
CLUSTER ID	57
NODE ID	53
NAME	Phomopchalasin B
FORMULA	C28H35NO4
MOLECULAR WEIGHT (Da)	449.5910
ACCURATE MASS (Da)	449.2566
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phomopsis
ORIGIN SPECIES	sp. shj2
InChIKey	MLMRFXVBCDFIAD-LTMHNWRYSA-N
InChI	InChI=1S/C28H35NO4/c1-13-10-14(2)20-21-19(11-13)33-25-16(4)15(3)22-18(12-17-8-6-5-7-9-17)29-27(32)28(22,23(21)25)26(31)24(20)30/h5-10,13,15,18-26,30-31H,4,11-12H2,1-3H3,(H,29,32)/t13-,15-,18+,19-,20+,21?,22+,23+,24-,25-,26-,28-/m1/s1
SMILES	C[C@H]1C[C@@H]2C3[C@@H]([C@H]([C@H]([C@]45[C@@H]3[C@H](O2)C(=C)[C@H]([C@H]4[C@@H](NC5=O)CC6=CC=CC=C6)C)O)O)C(=C1)C

ORIGINAL ISOLATION REFERENCE

CITATION	Yan, Bing-Chao; Wang, Wei-Guang; Hu, Dong-Bao; Sun, Xiang; Kong, Ling-Mei; Li, Xiao-Nian; Du, Xue; Luo, Shi-Hong; Liu, Yan; Li, Yan; Sun, Han-Dong; Pu, Jian-Xin Phomopchalasins A and B, Two Cytochalasans with Polycyclic-Fused Skeletons from the Endophytic Fungus Phomopsis sp. shj2 Organic Letters 2016 18 (5) 1108-1111.
DOI	10.1021/acs.orglett.6b00214	PMID	26881701

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Phomopsis	MycoBank	34399

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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