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Compounds

COMPOUND NPA033932

STRUCTURE

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PROPERTIES

NPAID	NPA033932
CLUSTER ID	1747
NODE ID	1418
NAME	Simplifusidic acid H
FORMULA	C31H48O7
MOLECULAR WEIGHT (Da)	532.7180
ACCURATE MASS (Da)	532.3400
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Simplicillium
ORIGIN SPECIES	sp. SCSIO 41513
InChIKey	FLMRNAGUOJGEDM-XPTRRWQHSA-N
InChI	InChI=1S/C31H48O7/c1-17(16-32)8-7-9-20(28(36)37)26-22-14-24(35)27-29(4)12-11-23(34)18(2)21(29)10-13-30(27,5)31(22,6)15-25(26)38-19(3)33/h8,18,21-25,27,32,34-35H,7,9-16H2,1-6H3,(H,36,37)/b17-8+,26-20?/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
SMILES	CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)C1=C(CC/C=C(\C)CO)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Cheng, Xia; Liang, Xiao; Yao, Fei-Hua; Liu, Xiao-Bo; Qi, Shu-Hua Fusidane-Type Antibiotics from the Marine-Derived Fungus Simplicillium sp. SCSIO 41513. Journal of Natural Products 2021 84 (11) 2945-2952.
DOI	10.1021/acs.jnatprod.1c00776	PMID	34755511

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Family	Cordycipitaceae	MycoBank	474943
Genus	Simplicillium	MycoBank	292631

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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