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Compounds

COMPOUND NPA026782

STRUCTURE

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PROPERTIES

NPAID	NPA026782
CLUSTER ID	8103
NODE ID	5499
NAME	Donghaesulfin B
FORMULA	C42H42O10S
MOLECULAR WEIGHT (Da)	738.8550
ACCURATE MASS (Da)	738.2499
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. SUD119
InChIKey	CAABZWMUMPQUKQ-IPJKXJCGSA-N
InChI	InChI=1S/C42H42O10S/c1-17-13-23(43)29-21(37(17)45)15-27(33-35(29)39(47)19-9-7-11-25(49-3)31(19)41(33)51-5)53-28-16-22-30(24(44)14-18(2)38(22)46)36-34(28)42(52-6)32-20(40(36)48)10-8-12-26(32)50-4/h7-12,15-18,37-42,45-48H,13-14H2,1-6H3/t17-,18-,37+,38+,39+,40+,41-,42+/m1/s1
SMILES	COC1=CC=CC2=C1[C@H](OC)C1=C(SC3=C4C(=C5C(=O)C[C@@H](C)[C@H](O)C5=C3)[C@@H](O)C3=C(C(OC)=CC=C3)[C@H]4OC)C=C3C(=C1[C@H]2O)C(=O)C[C@@H](C)[C@@H]3O

ORIGINAL ISOLATION REFERENCE

CITATION	Bae, Munhyung; An, Joon Soo; Bae, Eun Seo; Oh, Jedo; Park, So Hyun; Lim, Yeonjung; Ban, Yeon Hee; Kwon, Yun; Cho, Jang-Cheon; Yoon, Yeo Joon; Lee, Sang Kook; Shin, Jongheon; Oh, Dong-Chan Donghaesulfins A and B, Dimeric Benz[ a]anthracene Thioethers from Volcanic Island Derived Streptomyces sp. Organic Letters 2019 21 (10) 3635-3639.
DOI	10.1021/acs.orglett.9b01057	PMID	31033298

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Streptomyces	LPSN	1883

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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