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CHEBI:212150 - Hibarimicin G

ChEBI IDCHEBI:212150
ChEBI NameHibarimicin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC85H112O39
Net Charge0
Average Mass1757.792
Monoisotopic Mass1756.67807
SMILESCCCC1(O)C(O[C@H]2CC[C@H](O[C@@H]3C[C@H](O)[C@](O)(C(C)=O)[C@@H](C)O3)[C@@H](C)O2)C(O)C(O[C@H]2C[C@@H](O)[C@@H](O)[C@H](C)O2)C2Cc3cc4c(OC)c(OC)c(C5=C(OC)C(=O)c6c(O)c7c(c(O)c6C5=O)C(=O)C5(O)C6C7OC5(CCC)C(O[C@H]5CC[C@H](O[C@@H]7C[C@H](O)[C@](O)(C(C)=O)[C@@H](C)O7)[C@@H](C)O5)C(O)C6OC5C[C@@H](O)[C@@H](O)[C@H](C)O5)c(O)c4c(O)c3C(=O)C21O
InChIInChI=1S/C85H112O39/c1-14-20-80(104)78(122-45-18-16-41(28(3)112-45)118-49-26-43(90)82(105,32(7)86)34(9)116-49)68(100)71(120-47-24-39(88)60(92)30(5)114-47)38-23-36-22-37-52(62(94)51(36)76(102)84(38,80)107)63(95)56(74(111-13)70(37)109-11)55-64(96)53-54(67(99)73(55)110-12)65(97)57-58(66(53)98)77(103)85(108)59-72(57)124-81(85,21-15-2)79(69(101)75(59)121-48-25-40(89)61(93)31(6)115-48)123-46-19-17-42(29(4)113-46)119-50-27-44(91)83(106,33(8)87)35(10)117-50/h22,28-31,34-35,38-50,59-61,68-69,71-72,75,78-79,88-95,97-98,100-101,104-108H,14-21,23-27H2,1-13H3/t28-,29-,30+,31+,34-,35-,38?,39-,40-,41+,42+,43+,44+,45+,46+,47+,48?,49-,50-,59?,60+,61+,68?,69?,71?,72?,75?,78?,79?,80?,81?,82+,83+,84?,85?/m1/s1
InChIKeyKDLAXKWCMPFSGH-HKWJCSKESA-N
Species of MetaboliteComponentSourceComments
Microbispora (ncbitaxon:2005) - PubMed (9630861)
ChEBI Ontology
Outgoing Relation(s)
Hibarimicin G (CHEBI:212150) is a anthraquinone (CHEBI:22580)
IUPAC Name 
5-[(2S,5S,6R)-5-[(2S,4S,5R,6R)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-15-[9-[(2S,5S,6R)-5-[(2S,4S,5R,6R)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-7-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1,8,10,10a,12-pentahydroxy-3,4-dimethoxy-11-oxo-10-propyl-6a,7,8,9-tetrahydro-6H-tetracen-2-yl]-7-[(4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,12,19-tetrahydroxy-16-methoxy-4-propyl-3-oxapentacyclo[9.8.0.02,8.04,9.013,18]nonadeca-1(11),12,15,18-tetraene-10,14,17-trione
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