Everninomicin D (CHEBI:219797)

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CHEBI:219797 - Everninomicin D

ChEBI ID	CHEBI:219797
ChEBI Name	Everninomicin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C66H99Cl2NO35
Net Charge	0
Average Mass	1537.396
Monoisotopic Mass	1535.53747
SMILES	COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@@]4(OC[C@@](O)([C@H](C)OC)[C@@H]5OCO[C@H]54)O[C@H]3[C@H]2OC)[C@@H](OC)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O[C@H]2C[C@@]3(C)O[C@@]4(C[C@@H](O)[C@H](O[C@H]5C[C@@H](O[C@H]6C[C@](C)([N+](=O)[O-])[C@@H](OC)[C@H](C)O6)[C@H](OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)[C@@H](C)O5)[C@@H](C)O4)O[C@@H]3[C@@H](C)O2)[C@H]1O
WURCS	WURCS=2.0/6,6,5/[a1122h-1b_1-5_2OC_6OC][a221h-1a_1-5_3-4OC^SO/3C^RC^RC^RC^SOC/9C/8CO$3/8O/7OCO$6_2OC][a2112m-1b_1-5_4OC][ad522m-1b_1-5_3C][ad122m-1b_1-5_4OC(CCCCCC$4/9)C(/8)Cl(/7)O(/6)Cl(/5)OC/3=O][ad611m-1a_1-5_3C_3NO/2=O_4OC]/1-2-3-4-5-6/d3n2-d4n2-e1n11OC^SC^ROC^RO2/6O2/6CC^R$3/12O/4C_a1-b1_a4-c1_c3-d1_e3-f1
InChI	InChI=1S/C66H99Cl2NO35/c1-25-39(50(81-13)41(68)42(71)40(25)67)58(74)97-46-26(2)89-36(17-33(46)93-37-19-62(8,69(76)77)54(84-16)29(5)90-37)95-45-28(4)100-65(18-32(45)70)103-55-30(6)91-38(20-63(55,9)104-65)96-51-44(73)59(92-27(3)47(51)80-12)98-48-34(21-78-10)94-61(52(82-14)43(48)72)99-60-53(83-15)49-35(22-85-60)101-66(102-49)57-56(86-24-87-57)64(75,23-88-66)31(7)79-11/h26-38,43-49,51-57,59-61,70-73,75H,17-24H2,1-16H3/t26-,27-,28-,29+,30-,31+,32-,33-,34-,35+,36+,37+,38+,43+,44-,45-,46-,47+,48-,49-,51-,52+,53-,54+,55-,56-,57-,59+,60+,61+,62+,63-,64-,65-,66-/m1/s1
InChIKey	HZLMUDOBOCVXQT-YOQBUGDQSA-N

Species of Metabolite	Component	Source	Comments
Micromonospora (ncbitaxon:1873)	-	PubMed (1133407)

ChEBI Ontology

Outgoing Relation(s)
	Everninomicin D (CHEBI:219797) is a oligosaccharide (CHEBI:50699)

IUPAC Name
[(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aR,7'aR)-7'-hydroxy-7-methoxy-7'-[(1S)-1-methoxyethyl]spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

IUPAC Name

[(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,7R,7'R,7aR,7'aR)-7'-hydroxy-7-methoxy-7'-[(1S)-1-methoxyethyl]spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

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