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CHEBI:217601 - Ganefromycin alpha

ChEBI IDCHEBI:217601
ChEBI NameGanefromycin alpha
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H95NO21
Net Charge0
Average Mass1226.461
Monoisotopic Mass1225.63966
SMILESC/C=C\C=C\[C@@H]1O[C@](O)([C@H](CO[C@H]2C[C@H](OC)[C@H](O[C@@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)C(=O)NC/C=C/C=C(\C)C(OC)C(C)C2CC(O)C(/C=C/C=C/C=C/C(=O)O)O2)[C@H](OC(=O)Cc2ccccc2)[C@H](O)C1(C)C
WURCSWURCS=2.0/3,3,2/[ad221m-1a_1-5_1*OCC^SC^RC^RC^RCC^SC=^ECC=^ZCC/9O$5/8C/8C/7O/6OCC(CCCCCC$22)/20=O/5O/4CNCC=^ECC=^ECC^XC^XC^XOC^XC^XC$39/42O/41C=^ECC=^ECC=^ECCO/51=O/38C/37OC/36C/30=O_3*OC][ad111m-1b_1-5_3*OC][ad221m-1a_1-5_3*OC]/1-2-3/a4-b1_b4-c1
InChIInChI=1S/C65H95NO21/c1-13-14-18-29-51-64(7,8)61(72)62(84-53(70)32-43-26-19-17-20-27-43)65(74,87-51)44(63(73)66-31-24-23-25-38(2)58(78-12)39(3)47-33-45(67)46(83-47)28-21-15-16-22-30-52(68)69)37-79-54-35-49(76-10)59(41(5)81-54)86-56-36-50(77-11)60(42(6)82-56)85-55-34-48(75-9)57(71)40(4)80-55/h13-30,39-42,44-51,54-62,67,71-72,74H,31-37H2,1-12H3,(H,66,73)(H,68,69)/b14-13-,16-15+,24-23+,28-21+,29-18+,30-22+,38-25+/t39?,40-,41-,42-,44+,45?,46?,47?,48-,49-,50+,51-,54+,55-,56+,57+,58?,59+,60-,61-,62+,65+/m0/s1
InChIKeyUDVVGDCMWCVRCO-HQDNJGEPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3192501)
ChEBI Ontology
Outgoing Relation(s)
Ganefromycin alpha (CHEBI:217601) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(2E,4E,6E)-7-[5-[(4E,6E)-8-[[(2S)-2-[(2R,3R,4R,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxyoxan-2-yl]-3-[(2R,4S,5R,6S)-5-[(2R,4R,5S,6S)-5-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid
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