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CHEBI:220236 - Hibarimicin H

ChEBI IDCHEBI:220236
ChEBI NameHibarimicin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC75H98O33
Net Charge0
Average Mass1527.576
Monoisotopic Mass1526.59904
SMILESCCCC1(O)C(O[C@H]2CCC(O)[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]5CCC(OC7CC[C@H](O)[C@@H](C)O7)[C@@H](C)O5)C(O)C6O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)c(O)c4c(O)c3C(=O)C21O
InChIInChI=1S/C75H98O33/c1-11-19-72(92)70(106-39-17-14-34(77)26(4)99-39)60(88)63(104-41-23-35(78)52(80)28(6)101-41)32-22-30-21-31-44(54(82)43(30)68(90)74(32,72)93)55(83)48(66(97-10)62(31)95-8)47-56(84)45-46(59(87)65(47)96-9)57(85)49-50(58(45)86)69(91)75(94)51-64(49)108-73(75,20-12-2)71(61(89)67(51)105-42-24-36(79)53(81)29(7)102-42)107-40-18-15-37(27(5)100-40)103-38-16-13-33(76)25(3)98-38/h21,25-29,32-42,51-53,60-61,63-64,67,70-71,76-83,85-86,88-89,92-94H,11-20,22-24H2,1-10H3/t25-,26-,27-,28+,29+,32?,33+,34?,35-,36-,37?,38?,39+,40+,41+,42+,51?,52+,53+,60?,61?,63?,64?,67?,70?,71?,72?,73?,74?,75?/m1/s1
InChIKeyHTJVZFDAFDUEEM-MBWOXYOPSA-N
Species of MetaboliteComponentSourceComments
Microbispora (ncbitaxon:2005) - PubMed (12014442)
ChEBI Ontology
Outgoing Relation(s)
Hibarimicin H (CHEBI:220236) is a anthraquinone (CHEBI:22580)
IUPAC Name 
7-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-15-[7-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1,8,10,10a,12-pentahydroxy-9-[(2S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-11-oxo-10-propyl-6a,7,8,9-tetrahydro-6H-tetracen-2-yl]-6,9,12,19-tetrahydroxy-5-[(2S,6R)-5-[(5S,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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