Tyromycic acid B (CHEBI:207667)

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CHEBI:207667 - Tyromycic acid B

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ChEBI ID	CHEBI:207667
ChEBI Name	Tyromycic acid B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H50O7
Net Charge	0
Average Mass	570.767
Monoisotopic Mass	570.35565
SMILES	CC(=O)O[C@@H]1C2=C(CC[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]2(C)[C@@H]1OC(C)=O
InChI	InChI=1S/C34H50O7/c1-19(11-10-12-20(2)30(38)39)23-15-18-33(8)24-13-14-25-31(5,6)26(37)16-17-32(25,7)27(24)28(40-21(3)35)29(34(23,33)9)41-22(4)36/h12,19,23,25,28-29H,10-11,13-18H2,1-9H3,(H,38,39)/b20-12-/t19-,23-,25+,28-,29-,32+,33+,34+/m1/s1
InChIKey	ABJXQXSTZIZQEY-WCLUPPNXSA-N

Species of Metabolite	Component	Source	Comments
Pappia fissilis (ncbitaxon:1040649)	-	PubMed (14987050)

ChEBI Ontology

Outgoing Relation(s)
	Tyromycic acid B (CHEBI:207667) is a triterpenoid (CHEBI:36615)

IUPAC Name
(Z,6R)-6-[(5R,10S,11R,12S,13R,14S,17R)-11,12-diacetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

Manual Xrefs	Databases
10183469	ChemSpider