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Compounds

COMPOUND NPA018105

STRUCTURE

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PROPERTIES

NPAID	NPA018105
CLUSTER ID	903
NODE ID	782
NAME	BE-29602
FORMULA	C45H62O16
MOLECULAR WEIGHT (Da)	858.9750
ACCURATE MASS (Da)	858.4038
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Coprinus
ORIGIN SPECIES	atramentarius
InChIKey	WHBQKCNBNMZYEO-PLWKMCCUSA-N
InChI	InChI=1S/C45H62O16/c1-3-5-7-9-11-13-16-20-30(47)21-17-15-19-23-36(51)59-42-41(33(26-46)61-45(43(42)55)37-29(27-57-45)24-31(48)25-32(37)49)60-44-40(54)39(53)38(52)34(58-44)28-56-35(50)22-18-14-12-10-8-6-4-2/h11-20,22-25,30,33-34,38-44,46-49,52-55H,3-10,21,26-28H2,1-2H3/b13-11+,14-12-,17-15+,20-16+,22-18+,23-19+/t30?,33-,34-,38+,39+,40-,41-,42+,43-,44+,45+/m1/s1
SMILES	CCCCC/C=C/C=C/C(C/C=C/C=C/C(=O)O[C@H]1[C@@H]([C@H](O[C@]2([C@@H]1O)C3=C(C=C(C=C3CO2)O)O)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)/C=C/C=C\CCCCC)O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Lee, I K; Jeong, C Y; Cho, S M; Yun, B S; Kim, Y S; Yu, S H; Koshino, H; Yoo, I D BE-29602, a New Member of the Papulacandin Family Journal of Antibiotics 1996 49 (1) 103-106.
DOI	10.7164/antibiotics.49.103	PMID	8609074

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Agaricales	MycoBank	5338
Family	Coprinaceae	MycoBank	5339
Genus	Coprinus	MycoBank	5345

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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