Spectrum KO003663 for Oleandomycin

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3
RZPAKFUAFGMUPI-UHFFFAOYSA-N
C35H61NO12
687.419376392
O=C1OC(C)C(C)C(O)C(C(=O)C2(OC2)CC(C)C(OC3OC(C)CC(N(C)C)C3O)C(C)C(OC4OC(C)C(O)C(OC)C4)C1C)C

Mass Spectral Metadata

NameValue
KO003663
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID O016
687.41938
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
positive
1.075590625752067
0.3796362981307226
688
[M+H]+
621.1430116279129 ppm
-0.427346392000004 Da