CHEBI:210680 - 25-hydroxyfumitremorgin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 25-hydroxyfumitremorgin B
ChEBI ID CHEBI:210680
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H33N3O6
Net Charge 0
Average Mass 495.576
Monoisotopic Mass 495.23694
InChI InChI=1S/C27H33N3O6/c1-15(2)12-21-23-22(18-8-7-17(36-4)13-20(18)28(23)11-9-16(3)14-31)24(32)27(35)26(34)29-10-5-6-19(29)25(33)30(21)27/h7-9,12-13,19,21,24,31-32,35H,5-6,10-11,14H2,1-4H3/t19-,21-,24-,27+/m0/s1
InChIKey FIICBVXELZPDTN-MWGWWEMPSA-N
SMILES O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)C=4C5=C(C=C(OC)C=C5)N(C4[C@@H]3C=C(C)C)CC=C(CO)C)CCC2
ChEBI Ontology
Outgoing 25-hydroxyfumitremorgin B (CHEBI:210680) is a β-carbolines (CHEBI:60834)
IUPAC Name
(1R,2S,12S,15S)-1,2-dihydroxy-10-(4-hydroxy-3-methylbut-2-enyl)-7-methoxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
Manual Xref Database
78439151 ChemSpider
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