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CHEBI:227815 - Spiroterreusnoid E

ChEBI IDCHEBI:227815
ChEBI NameSpiroterreusnoid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O10
Net Charge0
Average Mass578.699
Monoisotopic Mass578.30910
SMILESC=C1C[C@H]2[C@]3(C)CCC4(O[C@@H](C)[C@H](C)O4)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H](C(=O)OC)[C@]1(C)C(=O)[C@](C)(O)C(=O)OC
InChIInChI=1S/C31H46O10/c1-15-14-18-27(6)12-13-31(40-16(2)17(3)41-31)26(4,5)20(27)19(32)22(33)29(18,8)21(23(34)38-10)28(15,7)24(35)30(9,37)25(36)39-11/h16-18,20-22,33,37H,1,12-14H2,2-11H3/t16-,17-,18-,20+,21-,22+,27-,28+,29-,30-/m0/s1
InChIKeyFSLKVNVJNQCPCQ-YEGATAKMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31203103)
ChEBI Ontology
Outgoing Relation(s)
Spiroterreusnoid E (CHEBI:227815) is a oxo steroid (CHEBI:35789)
IUPAC Name 
methyl (1'R,2'S,4S,4'aS,4'bS,5S,8'aS,10'S,10'aS)-10'-hydroxy-2'-[(2S)-2-hydroxy-3-methoxy-2-methyl-3-oxopropanoyl]-2',4,4'b,5,8',8',10'a-heptamethyl-3'-methylidene-9'-oxospiro[1,3-dioxolane-2,7'-4,4a,5,6,8a,10-hexahydro-1H-phenanthrene]-1'-carboxylate