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Compounds

COMPOUND NPA032253

STRUCTURE

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PROPERTIES

NPAID	NPA032253
CLUSTER ID	57
NODE ID	53
NAME	Bisaspochalasin C
FORMULA	C48H68N2O10S
MOLECULAR WEIGHT (Da)	865.1430
ACCURATE MASS (Da)	864.4595
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	flavipes KIB-536
InChIKey	FMJGIXCBZMGPNC-ZIDCJWJXSA-N
InChI	InChI=1S/C48H68N2O10S/c1-22(2)15-32-40-27(8)26(7)19-30-17-24(5)11-13-34(51)36(53)20-38(43(55)47(30,40)45(57)49-32)61-39-21-37(54)35(52)14-12-25(6)18-31-42(60-59)29(10)28(9)41-33(16-23(3)4)50-46(58)48(31,41)44(39)56/h17-19,22-23,27,30-35,38-42,51-52,59H,11-16,20-21H2,1-10H3,(H,49,57)(H,50,58)/b24-17+,25-18+/t27-,30+,31+,32+,33+,34-,35-,38-,39-,40+,41+,42?,47+,48+/m1/s1
SMILES	CC1=C[C@@H]2/C=C(\C)CC[C@@H](O)C(=O)C[C@@H](S[C@@H]3CC(=O)[C@H](O)CC/C(C)=C/[C@H]4C(OO)C(C)=C(C)[C@H]5[C@H](CC(C)C)NC(=O)[C@@]45C3=O)C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C

ORIGINAL ISOLATION REFERENCE

CITATION	Wang, Li; Yang, Jing; Huang, Jian-Ping; Li, Jie; Luo, Jianying; Yan, Yijun; Huang, Sheng-Xiong Bisaspochalasins A-C: Three Cytochalasan Homodimers with Highly Fused Ring System from an Endophytic Aspergillus flavipes. Organic Letters 2020 22 (20) 7930-7935.
DOI	10.1021/acs.orglett.0c02860	PMID	33001654

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	Aspergillus	MycoBank	5052

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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