Rhodestrin (CHEBI:211812)

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CHEBI:211812 - Rhodestrin

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ChEBI ID	CHEBI:211812
ChEBI Name	Rhodestrin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C39H49NO4
Net Charge	0
Average Mass	595.824
Monoisotopic Mass	595.36616
SMILES	CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)COC(=O)c1c(CO)nc2ccccc12)=C\C=C\C=C(/C)CCCCCO
InChI	InChI=1S/C39H49NO4/c1-30(16-7-6-12-27-41)17-8-9-18-31(2)19-13-20-32(3)21-14-22-33(4)23-15-24-34(5)29-44-39(43)38-35-25-10-11-26-36(35)40-37(38)28-42/h8-11,13-15,17-26,40-42H,6-7,12,16,27-29H2,1-5H3/b9-8+,19-13+,21-14+,23-15+,30-17+,31-18+,32-20+,33-22+,34-24+
InChIKey	LVYQBPNOIQZHMM-ZQIMYRGSSA-N

Species of Metabolite	Component	Source	Comments
Rhodobacter (ncbitaxon:1060)	-	PubMed (16328987)

ChEBI Ontology

Outgoing Relation(s)
	Rhodestrin (CHEBI:211812) is a diterpenoid (CHEBI:23849)

IUPAC Name
[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-24-hydroxy-2,6,10,14,19-pentamethyltetracosa-2,4,6,8,10,12,14,16,18-nonaenyl] 2-(hydroxymethyl)-1H-indole-3-carboxylate