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CHEBI:214742 - Hibarimicin C

ChEBI IDCHEBI:214742
ChEBI NameHibarimicin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC83H110O36
Net Charge0
Average Mass1683.757
Monoisotopic Mass1682.67768
SMILESCCCC1(O)C(O[C@H]2CC[C@H](O[C@@H]3CC[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]7CC[C@@H](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/C83H110O36/c1-13-22-80(101)77(117-45-19-16-43(31(5)108-45)114-47-21-24-79(100,34(8)84)35(9)112-47)67(96)70(115-48-27-40(86)59(88)32(6)110-48)38-26-36-25-37-51(61(90)50(36)75(98)82(38,80)102)62(91)55(73(106-12)69(37)104-10)54-63(92)52-53(66(95)72(54)105-11)64(93)56-57(65(52)94)76(99)83(103)58-71(56)119-81(83,23-14-2)78(68(97)74(58)116-49-28-41(87)60(89)33(7)111-49)118-46-20-17-42(30(4)109-46)113-44-18-15-39(85)29(3)107-44/h25,29-33,35,38-49,58-60,67-68,70-71,74,77-78,85-91,93-94,96-97,100-103H,13-24,26-28H2,1-12H3/t29-,30-,31-,32+,33+,35-,38?,39-,40-,41-,42+,43+,44-,45+,46+,47-,48+,49?,58?,59+,60+,67?,68?,70?,71?,74?,77?,78?,79+,80?,81?,82?,83?/m1/s1
InChIKeyWYVNHQPOEAJLTF-YETXNFKSSA-N
Species of MetaboliteComponentSourceComments
Microbispora (ncbitaxon:2005) - PubMed (9630861)
ChEBI Ontology
Outgoing Relation(s)
Hibarimicin C (CHEBI:214742) is a anthraquinone (CHEBI:22580)
IUPAC Name 
15-[9-[(2S,5S,6R)-5-[(2S,5R,6R)-5-acetyl-5-hydroxy-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-5-[(2S,5S,6R)-5-[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-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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78445274ChemSpider