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CHEBI:209055 - Viridomonic acid B

ChEBI IDCHEBI:209055
ChEBI NameViridomonic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O10
Net Charge0
Average Mass618.764
Monoisotopic Mass618.34040
SMILESCOC(=O)/C(CCC=C(C)C)=C1/C2[C@@H](O)C(=O)C3[C@@]4(C)CC[C@@H](O)[C@@H](C)C4[C@@H](OC(C)=O)[C@H](O)[C@]3(C)[C@@]2(C)C[C@@H]1OC(C)=O
InChIInChI=1S/C34H50O10/c1-16(2)11-10-12-20(31(41)42-9)23-22(43-18(4)35)15-33(7)25(23)26(38)27(39)29-32(6)14-13-21(37)17(3)24(32)28(44-19(5)36)30(40)34(29,33)8/h11,17,21-22,24-26,28-30,37-38,40H,10,12-15H2,1-9H3/b23-20+/t17-,21-,22+,24?,25?,26-,28-,29?,30+,32+,33+,34-/m1/s1
InChIKeyIGKNMILCWNUNMK-IACGKIQQSA-N
Species of MetaboliteComponentSourceComments
Cladosporiumspecies (ncbitaxon:1707700) - DOI (10.1016/s0040-4039(01)94162-0)
ChEBI Ontology
Outgoing Relation(s)
Viridomonic acid B (CHEBI:209055) is a steroid ester (CHEBI:47880)
IUPAC Name 
methyl (2Z)-2-[(3R,4S,6R,7R,8S,10S,12R,14S,16S)-6,16-diacetyloxy-3,7,12-trihydroxy-4,8,10,14-tetramethyl-11-oxo-1,2,3,4,5,6,7,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoate
Manual XrefsDatabases
78445248ChemSpider