Terresterol (CHEBI:199615)

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CHEBI:199615 - Terresterol

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ChEBI ID	CHEBI:199615
ChEBI Name	Terresterol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H56O7
Net Charge	0
Average Mass	576.815
Monoisotopic Mass	576.40260
SMILES	CC(=O)OC[C@H]([C@H](O)C[C@@H](OC(C)=O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChI	InChI=1S/C34H56O7/c1-20(35)40-19-22(26(37)18-29(31(5,6)39)41-21(2)36)23-12-16-34(9)25-10-11-27-30(3,4)28(38)14-15-32(27,7)24(25)13-17-33(23,34)8/h22-23,26-29,37-39H,10-19H2,1-9H3/t22-,23+,26+,27-,28-,29+,32+,33+,34-/m0/s1
InChIKey	FDNZVAKKHHFURP-XMPRBOKCSA-N

Species of Metabolite	Component	Source	Comments
Saprolegnia terrestris (ncbitaxon:334528)	-	DOI (10.1016/j.tet.2013.02.088)

ChEBI Ontology

Outgoing Relation(s)
	Terresterol (CHEBI:199615) is a triterpenoid (CHEBI:36615)

IUPAC Name
[(2R,3R,5R)-5-acetyloxy-3,6-dihydroxy-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptyl] acetate

Manual Xrefs	Databases
28637928	ChemSpider