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CHEBI:210320 - Spirofungin B

ChEBI IDCHEBI:210320
ChEBI NameSpirofungin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O7
Net Charge0
Average Mass502.648
Monoisotopic Mass502.29305
SMILESCC(/C=C/C(O)C(C)/C=C/C(=O)O)=C\C[C@H]1O[C@@]2(CC[C@@H](C)[C@@H](/C=C/C(C)=C/C(=O)O)O2)CC[C@@H]1C
InChIInChI=1S/C29H42O7/c1-19(6-10-24(30)21(3)9-13-27(31)32)7-11-25-22(4)14-16-29(35-25)17-15-23(5)26(36-29)12-8-20(2)18-28(33)34/h6-10,12-13,18,21-26,30H,11,14-17H2,1-5H3,(H,31,32)(H,33,34)/b10-6+,12-8+,13-9+,19-7+,20-18+/t21?,22-,23+,24?,25+,26+,29-/m0/s1
InChIKeyZUPXAYGYALHVSA-RXHXYYCNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceusniger Tu 4113 (ncbitaxon:653045) - PubMed (9766461)
ChEBI Ontology
Outgoing Relation(s)
Spirofungin B (CHEBI:210320) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2E,6E,8E)-10-[(2S,3R,6S,8R,9S)-2-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dienyl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
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