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Compounds

COMPOUND NPA009805

STRUCTURE

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PROPERTIES

NPAID	NPA009805
CLUSTER ID	36
NODE ID	35
NAME	Concentricol B
FORMULA	C30H52O7
MOLECULAR WEIGHT (Da)	524.7390
ACCURATE MASS (Da)	524.3713
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Daldinia
ORIGIN SPECIES	concentrica
InChIKey	SJSJMAGSLBEBJS-QODJIQEDSA-N
InChI	InChI=1S/C30H52O7/c1-22(15-17-26(32)29(5,36)19-9-13-24(3)21-31)11-7-8-12-23(2)16-18-27(33)30(6,37)20-10-14-25(4)28(34)35/h11-14,26-27,31-33,36-37H,7-10,15-21H2,1-6H3,(H,34,35)/b22-11+,23-12+,24-13+,25-14+/t26-,27-,29-,30-/m0/s1
SMILES	C/C(=C\CC/C=C(\C)/CC[C@@H]([C@](C)(CC/C=C(\C)/C(=O)O)O)O)/CC[C@@H]([C@](C)(CC/C=C(\C)/CO)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Quang, Dang Ngoc; Hashimoto, Toshihiro; Tanaka, Masami; Baumgartner, Manuela; Stadler, Marc; Asakawa, Yoshinori Concentriols B, C and D, three squalene-type triterpenoids from the ascomycete Daldinia concentrica Phytochemistry 2002 61 (3) 345-353.
DOI	10.1016/s0031-9422(02)00264-9	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Xylariales	MycoBank	37989
Family	Hypoxylaceae	MycoBank	2033035
Genus	Daldinia	MycoBank	42360

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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