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CHEBI:82000 - Prechromomycin B

ChEBI IDCHEBI:82000
ChEBI NamePrechromomycin B
Stars
DownloadsMolfile
FormulaC53H72O24
Net Charge0
Average Mass1093.135
Monoisotopic Mass1092.44135
SMILES[H][C@@]12Cc3cc4cc(O[C@H]5C[C@@H](O[C@@H]6C[C@@H](O)[C@@H](O)[C@@H](C)O6)[C@@H](O)[C@@H](C)O5)c(C)c(O)c4c(O)c3C(=O)[C@]1(O[C@H]1C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@@H](O)[C@H](C)O4)[C@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O1)C(=O)C(C(C)=O)=C(O)[C@H]2OC
WURCSWURCS=2.0/4,5,4/[ad122m-1b_1-5][ad112m-1b_1-5][ad112m-1a_1-5][ad611m-1a_1-5_3*C]/1-2-3-1-4/a1n2-b1n1*1O(CCCCCCCCC$6/11C$3/9)CC^SC^SO*2/15CC=^XCC^SOC/21$14/20O/19CC/25=O/18=O/15C($8/7)O/29=O(/5)O(/4)C_a3-d1_b3-c1_d3-e1
InChIInChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24+,27+,28-,30-,31-,32-,33-,34+,35+,36+,37+,42+,43+,44-,45-,48+,49+,52+,53-/m1/s1
InChIKeyHCTADUCAPFYREF-SZDMLHSYSA-N
ChEBI Ontology
Outgoing Relation(s)
Prechromomycin B (CHEBI:82000) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
C18839KEGG COMPOUND