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CHEBI:220352 - Luminaolide B

ChEBI IDCHEBI:220352
ChEBI NameLuminaolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC82H142N2O24
Net Charge0
Average Mass1540.028
Monoisotopic Mass1538.99525
SMILESCOC1CC(O)CC(=O)OC(C(C)C(O)C(C)CCC(=O)C(C)C(OC)C(C)/C=C/N(C)C=O)C(C)C(O)CC(O)C(C)C(OC)CC2CC=CC(CC(OC)CC(O)CC(=O)OC(C(C)C(O)C(C)CCC(=O)C(C)C(OC)C(C)/C=C/N(C)C=O)C(C)C(O)CC(O)C(C)C(OC)CC3CC=CC(C1)O3)O2
InChIInChI=1S/C82H142N2O24/c1-47(27-29-67(89)53(7)79(103-19)49(3)31-33-83(13)45-85)77(97)57(11)81-55(9)71(93)43-69(91)51(5)73(101-17)41-63-25-22-24-62(106-63)40-66(100-16)36-60(88)38-76(96)108-82(58(12)78(98)48(2)28-30-68(90)54(8)80(104-20)50(4)32-34-84(14)46-86)56(10)72(94)44-70(92)52(6)74(102-18)42-64-26-21-23-61(105-64)39-65(99-15)35-59(87)37-75(95)107-81/h21-24,31-34,45-66,69-74,77-82,87-88,91-94,97-98H,25-30,35-44H2,1-20H3/b33-31+,34-32+
InChIKeyDOUNUINZQIVRLP-FMWAKIAMSA-N
Species of MetaboliteComponentSourceComments
Planktothrix paucivesiculata PCC 9631 (ncbitaxon:671071) - PubMed (26236936)
ChEBI Ontology
Outgoing Relation(s)
Luminaolide B (CHEBI:220352) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
N-[(E)-11-[29-[(E)-12-[ormyl(methyl)amino]-3-hydroxy-9-methoxy-4,8,10-trimethyl-7-oxododec-11-en-2-yl]-5,11,13,25,31,33-hexahydroxy-3,15,23,35-tetramethoxy-10,14,30,34-tetramethyl-7,27-dioxo-8,28,41,42-tetraoxatricyclo[35.3.1.117,21]dotetraconta-19,39-dien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylormamide
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