PM100118 (CHEBI:218355)

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CHEBI:218355 - PM100118

ChEBI ID	CHEBI:218355
ChEBI Name	PM100118
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C82H130O28
Net Charge	0
Average Mass	1563.914
Monoisotopic Mass	1562.87486
SMILES	CC[C@H](O[C@H]1C[C@@](C)(O)[C@H](O[C@H]2CC[C@H](OC(=O)[C@H](C)[C@H](O[C@H]3CC[C@H](O)[C@H](C)O3)c3ccc4c(c3)C(=O)C=C(C)C4=O)[C@H](C)O2)[C@H](C)O1)[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C=C\C[C@H](O)C[C@H](O)CCC[C@@H](O)CC[C@@H](C)[C@H](O)C(=O)[C@@]2(O)C[C@@H](O)C[C@@H](C[C@@H](O)C[C@H](O)C[C@H](O)CCC[C@H](O)/C=C\[C@@H]1C)O2
InChI	InChI=1S/C82H130O28/c1-13-66(105-71-41-81(12,100)79(51(11)104-71)109-70-32-30-67(50(10)103-70)106-80(99)48(8)77(108-69-31-29-64(91)49(9)102-69)52-25-28-62-63(34-52)65(92)33-44(4)72(62)94)45(5)74(96)46(6)75(97)47(7)76-43(3)24-27-54(84)18-15-20-57(87)36-58(88)37-59(89)38-61-39-60(90)40-82(101,110-61)78(98)73(95)42(2)23-26-53(83)17-14-19-55(85)35-56(86)21-16-22-68(93)107-76/h16,22,24-25,27-28,33-34,42-43,45-51,53-61,64,66-67,69-71,73-77,79,83-91,95-97,100-101H,13-15,17-21,23,26,29-32,35-41H2,1-12H3/b22-16-,27-24-/t42-,43+,45+,46-,47+,48-,49+,50+,51+,53-,54+,55-,56+,57-,58-,59+,60+,61-,64+,66+,67+,69+,70+,71+,73+,74+,75+,76+,77+,79-,81-,82-/m1/s1
InChIKey	OUULMRBNIROABQ-XEQMKCJGSA-N

Species of Metabolite	Component	Source
Streptomyces (ncbitaxon:1883)
	-	PubMed (30806648)
	-	PubMed (26648119)

ChEBI Ontology

Outgoing Relation(s)
	PM100118 (CHEBI:218355) is a macrolide (CHEBI:25106)

IUPAC Names
[(2S,3S,6S)-6-[(2S,3R,4R,6R)-6-[(3S,4R,5R,6R,7S,8S)-8-[(1R,3S,5R,7R,11S,12E,14S,15S,18E,21S,23R,27R,30R,31S,33R,35S)-3,5,7,11,21,23,27,31,33,35-decahydroxy-14,30-dimethyl-17,32-dioxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-12,18-dien-15-yl]-5,7-dihydroxy-4,6-dimethylnonan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl]oxy-2-methyloxan-3-yl] (2R,3S)-3-[(2R,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate
[6-[6-[8-(3,5,7,11,21,23,27,31,33,35-decahydroxy-14,30-dimethyl-17,32-dioxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-12,18-dien-15-yl)-5,7-dihydroxy-4,6-dimethylnonan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl]oxy-2-methyloxan-3-yl] 3-(5-hydroxy-6-methyloxan-2-yl)oxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate

IUPAC Names

[(2S,3S,6S)-6-[(2S,3R,4R,6R)-6-[(3S,4R,5R,6R,7S,8S)-8-[(1R,3S,5R,7R,11S,12E,14S,15S,18E,21S,23R,27R,30R,31S,33R,35S)-3,5,7,11,21,23,27,31,33,35-decahydroxy-14,30-dimethyl-17,32-dioxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-12,18-dien-15-yl]-5,7-dihydroxy-4,6-dimethylnonan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl]oxy-2-methyloxan-3-yl] (2R,3S)-3-[(2R,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate

[6-[6-[8-(3,5,7,11,21,23,27,31,33,35-decahydroxy-14,30-dimethyl-17,32-dioxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-12,18-dien-15-yl)-5,7-dihydroxy-4,6-dimethylnonan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl]oxy-2-methyloxan-3-yl] 3-(5-hydroxy-6-methyloxan-2-yl)oxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate

Manual Xrefs	Databases
71592654	ChemSpider