Irpenigirin B (CHEBI:207207)

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CHEBI:207207 - Irpenigirin B

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ChEBI ID	CHEBI:207207
ChEBI Name	Irpenigirin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H62O8
Net Charge	0
Average Mass	598.862
Monoisotopic Mass	598.44447
SMILES	CC(=O)O[C@@H](CC[C@H](OC(C)=O)[C@](C)(O)CC/C=C(\C)CCCC(C)(C)O)[C@](C)(O)CC/C=C(\C)CCCC(C)(C)O
InChI	InChI=1S/C34H62O8/c1-25(15-11-21-31(5,6)37)17-13-23-33(9,39)29(41-27(3)35)19-20-30(42-28(4)36)34(10,40)24-14-18-26(2)16-12-22-32(7,8)38/h17-18,29-30,37-40H,11-16,19-24H2,1-10H3/b25-17+,26-18+/t29-,30-,33+,34+/m0/s1
InChIKey	CAZUZUXTXAVONW-SZKNPUAUSA-N

Species of Metabolite	Component	Source	Comments
Irpex lacteus (ncbitaxon:5319)	-	PubMed (31597038)

ChEBI Ontology

Outgoing Relation(s)
	Irpenigirin B (CHEBI:207207) is a triterpenoid (CHEBI:36615)

IUPAC Name
[(6E,10R,11S,14S,15R,18E)-14-acetyloxy-2,10,15,23-tetrahydroxy-2,6,10,15,19,23-hexamethyltetracosa-6,18-dien-11-yl] acetate