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CHEBI:199437 - Saquayamycin Z

ChEBI IDCHEBI:199437
ChEBI NameSaquayamycin Z
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FormulaC72H102O29
Net Charge0
Average Mass1431.579
Monoisotopic Mass1430.65068
SMILESC[C@@H]1O[C@@H](O[C@H]2CC[C@H](OC3[C@H](C)O[C@@H](O[C@H]4[C@H](O)C[C@H](c5ccc6c(=O)c7c(oc6c5O)C=C[C@]5(O)C[C@@](C)(O[C@H]6CC[C@H](O[C@H]8C[C@@H](O[C@H]9CC[C@H](O[C@H]%10C[C@@H](O[C@H]%11CC[C@H](O)[C@H](C)O%11)[C@H](O)[C@@H](C)O%10)[C@H](C)O9)[C@H](O)[C@@H](C)O8)[C@H](C)O6)CC(=O)[C@]75O)O[C@@H]4C)C[C@@H]3O)O[C@H]2C)C=CC1=O
InChIInChI=1S/C72H102O29/c1-31-42(73)13-18-54(85-31)93-46-16-21-57(88-33(46)3)99-68-39(9)92-59(26-45(68)76)100-67-38(8)84-50(25-44(67)75)40-11-12-41-65(80)62-49(98-69(41)66(40)81)23-24-71(82)30-70(10,29-53(77)72(62,71)83)101-58-22-17-48(35(5)89-58)95-61-28-52(64(79)37(7)91-61)97-56-20-15-47(34(4)87-56)94-60-27-51(63(78)36(6)90-60)96-55-19-14-43(74)32(2)86-55/h11-13,18,23-24,31-39,43-48,50-52,54-61,63-64,67-68,74-76,78-79,81-83H,14-17,19-22,25-30H2,1-10H3/t31-,32-,33-,34-,35-,36+,37+,38+,39-,43-,44+,45-,46-,47-,48-,50+,51+,52+,54-,55-,56-,57-,58-,59-,60-,61-,63+,64+,67+,68?,70-,71-,72-/m0/s1
InChIKeyHXKIEUQACANSNK-SBCHTQRNSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (15835721)
ChEBI Ontology
Outgoing Relation(s)
Saquayamycin Z (CHEBI:199437) is a xanthones (CHEBI:51149)
IUPAC Name 
(3R,4aR,12bS)-4a,8,12b-trihydroxy-3-[(2S,5S,6S)-5-[(2S,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-[(2S,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]-3-methyl-2,4-dihydrobenzo[a]xanthene-1,12-dione
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