CHEBI:7036 - Musennin

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ChEBI Name Musennin ChEBI ID CHEBI:7036 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C51H82O21 Net Charge 0 Average Mass 1031.186 Monoisotopic Mass 1030.53486 InChI InChI=1S/C51H82O21/c1-46(2)14-15-51(45(63)64)23(16-46)22-8-9-29-48(5)12-11-31(47(3,4)28(48)10-13-49(29,6)50(22,7)17-30(51)56)69-43-39(32(57)24(53)19-66-43)72-44-40(33(58)25(54)20-67-44)71-41-37(62)38(26(55)21-65-41)70-42-36(61)35(60)34(59)27(18-52)68-42/h8,23-44,52-62H,9-21H2,1-7H3,(H,63,64)/t23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,38-,39+,40+,41-,42-,43-,44-,48-,49+,50+,51+/m0/s1 InChIKey ZMEIKTTXONUYNX-SWMOGPPLSA-N SMILES CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O ChEBI Ontology Outgoing Musennin (CHEBI:7036) is a triterpenoid (CHEBI:36615) Synonym Source Musennin KEGG COMPOUND Manual Xrefs Databases C00003534 KNApSAcK C08960 KEGG COMPOUND View more database links Registry Number Type Source 25480-74-4 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014