Ganefromycin beta (CHEBI:202449)

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CHEBI:202449 - Ganefromycin beta

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ChEBI ID	CHEBI:202449
ChEBI Name	Ganefromycin beta
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C57H89NO19
Net Charge	0
Average Mass	1092.327
Monoisotopic Mass	1091.60288
SMILES	C/C=C\C=C\[C@@H]1O[C@](O)([C@H](CO[C@H]2C[C@H](OC)[C@H](O[C@@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)C(=O)NC/C=C/C=C(\C)C(OC)C(C)C2CC(O)C(/C=C/C=C/C=C/C(=O)O)O2)C[C@H](O)C1(C)C
WURCS	WURCS=2.0/3,3,2/[ad221m-1a_1-5_1OCC^SC^SOC^SCC^SC$5/9O/8C/8C/7C=^ECC=^ZCC/5O/4CNCC=^ECC=^ECC^XC^XC^XOC^XC^XC$29/32O/31C=^ECC=^ECC=^ECCO/41=O/28C/27OC/26C/20=O_3OC][ad111m-1b_1-5_3OC][ad221m-1a_1-5_3OC]/1-2-3/a4-b1_b4-c1
InChI	InChI=1S/C57H89NO19/c1-13-14-17-24-46-56(7,8)45(60)31-57(65,77-46)38(55(64)58-26-21-20-22-33(2)52(69-12)34(3)41-27-39(59)40(74-41)23-18-15-16-19-25-47(61)62)32-70-48-29-43(67-10)53(36(5)72-48)76-50-30-44(68-11)54(37(6)73-50)75-49-28-42(66-9)51(63)35(4)71-49/h13-25,34-46,48-54,59-60,63,65H,26-32H2,1-12H3,(H,58,64)(H,61,62)/b14-13-,16-15+,21-20+,23-18+,24-17+,25-19+,33-22+/t34?,35-,36-,37-,38+,39?,40?,41?,42-,43-,44+,45-,46-,48+,49-,50+,51+,52?,53+,54-,57-/m0/s1
InChIKey	GYALAKIKPRXBBB-XRFFAWBTSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces lydicus (ncbitaxon:47763)	-	PubMed (9514008)

ChEBI Ontology

Outgoing Relation(s)
	Ganefromycin beta (CHEBI:202449) is a oligosaccharide (CHEBI:50699)

IUPAC Name
(2E,4E,6E)-7-[5-[(4E,6E)-8-[[(2S)-2-[(2S,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]-3-[(2R,4S,5R,6S)-5-[(2R,4R,5S,6S)-5-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid

Manual Xrefs	Databases
8733493	ChemSpider