CHEBI:81104 - Alisol B

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ChEBI Name Alisol B
ChEBI ID CHEBI:81104
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H48O4
Net Charge 0
Average Mass 472.69970
Monoisotopic Mass 472.35526
InChI InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
InChIKey GBJKHDVRXAVITG-UNPOXIGHSA-N
SMILES C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
ChEBI Ontology
Outgoing Alisol B (CHEBI:81104) is a triterpenoid (CHEBI:36615)
Manual Xref Database
C17460 KEGG COMPOUND
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Registry Number Type Source
18649-93-9 CAS Registry Number KEGG COMPOUND