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CHEBI:226933 - Caniferolide C

ChEBI IDCHEBI:226933
ChEBI NameCaniferolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC77H122O27
Net Charge0
Average Mass1479.796
Monoisotopic Mass1478.81735
SMILESCC[C@H](O[C@H]1C[C@@](C)(O)[C@H](O[C@H]2CC[C@H](OC(=O)[C@H](C)[C@H](O)c3ccc4c(c3)C(=O)C=C(C)C4=O)[C@@H](C)O2)[C@H](C)O1)[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)C=C[C@H](C)[C@H](O)C[C@H](O)CCC[C@@H](O)CC[C@@H](C)[C@H](O)C(=O)[C@@]2(O)C[C@@H](O)C[C@@H](C[C@@H](O)C[C@H](O)C[C@H](O)CCC[C@H](O)[C@@H]3O[C@H]3[C@@H]1C)O2
InChIInChI=1S/C77H122O27/c1-13-60(99-64-36-76(12,95)74(46(11)98-64)102-63-27-25-61(45(10)97-63)100-75(94)43(8)69(92)47-22-24-55-56(29-47)59(86)28-39(4)65(55)88)40(5)67(90)41(6)68(91)42(7)70-44(9)71-72(103-71)57(84)19-15-18-49(79)30-51(81)31-52(82)32-54-33-53(83)35-77(96,104-54)73(93)66(89)38(3)20-23-48(78)16-14-17-50(80)34-58(85)37(2)21-26-62(87)101-70/h21-22,24,26,28-29,37-38,40-46,48-54,57-58,60-61,63-64,66-72,74,78-85,89-92,95-96H,13-20,23,25,27,30-36H2,1-12H3/t37-,38+,40-,41+,42-,43+,44+,45+,46-,48+,49+,50+,51+,52-,53-,54+,57-,58+,60-,61-,63-,64-,66-,67-,68-,69-,70+,71-,72-,74+,76+,77+/m0/s1
InChIKeyGJWFVOXNSBRFLN-KRBFQVFESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30806648)
ChEBI Ontology
Outgoing Relation(s)
Caniferolide C (CHEBI:226933) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,3S,6S)-6-[(2S,3R,4R,6R)-6-[(3S,4R,5R,6R,7S,8S)-8-[(1R,3S,5R,7R,11S,12S,14S,15R,16R,21S,22R,24R,28R,31R,32S,34R,36S)-3,5,7,11,22,24,28,32,34,36-decahydroxy-15,21,31-trimethyl-18,33-dioxo-13,17,38-trioxatricyclo[32.3.1.012,14]octatriacont-19-en-16-yl]-5,7-dihydroxy-4,6-dimethylnonan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl]oxy-2-methyloxan-3-yl] (2R,3S)-3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate