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CHEBI:227946 - Rhizovarin E

ChEBI IDCHEBI:227946
ChEBI NameRhizovarin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H51NO5
Net Charge0
Average Mass613.839
Monoisotopic Mass613.37672
SMILESC=C(C)[C@H]1C[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4[C@H](OC)c5c(nc6ccc7c(c56)[C@H]5[C@H](C[C@@H]5C(C)(C)O)C(=C)C7)[C@@]43C)[C@]23O[C@@H]3[C@H]1O
InChIInChI=1S/C39H51NO5/c1-18(2)22-16-21-11-13-36(6)37(7)24(12-14-38(36,43)39(21)34(45-39)31(22)41)32(44-8)30-29-26(40-33(30)37)10-9-20-15-19(3)23-17-25(35(4,5)42)28(23)27(20)29/h9-10,21-25,28,31-32,34,40-43H,1,3,11-17H2,2,4-8H3/t21-,22-,23-,24+,25+,28+,31+,32+,34-,36-,37-,38+,39+/m1/s1
InChIKeyULAVCJKSVMEGQI-GSHAFRTFSA-N
Species of MetaboliteComponentSourceComments
Mucor (ncbitaxon:4830) - PubMed (27462726)
ChEBI Ontology
Outgoing Relation(s)
Rhizovarin E (CHEBI:227946) is a tetralins (CHEBI:36786)
IUPAC Name 
(2S,3R,6R,8R,9S,10R,12S,13S,16R,17S,21S,22S,24S)-22-(2-hydroxypropan-2-yl)-17-methoxy-2,3-dimethyl-25-methylidene-8-prop-1-en-2-yl-11-oxa-31-azanonacyclo[16.13.0.02,16.03,13.06,12.010,12.019,30.020,27.021,24]hentriaconta-1(18),19(30),20(27),28-tetraene-9,13-diol
Manual XrefsDatabases
78441614ChemSpider