input word = C00023197

Metabolite InformationStructural formula
Name 3alpha-Angeloyloxy-2-hydroxy-13-oxo-14,15-nor-ent-labda-7-en-2-O-beta-[fucopyranoside-4'-O-acetate]
Formula C31H48O9
Mw 564.32983313
CAS RN 107424-08-8
C_ID C00023197 ,
InChIKey KKTLQUDPSNWWDP-KPSAKAQRNA-N
InChICode InChI=1S/C31H48O9/c1-10-16(2)28(36)40-27-22(39-29-25(35)24(34)26(19(5)37-29)38-20(6)33)15-31(9)21(13-12-18(4)32)17(3)11-14-23(31)30(27,7)8/h10-11,19,21-27,29,34-35H,12-15H2,1-9H3/b16-10-/t19-,21-,22+,23-,24+,25+,26-,27-,29-,31-/m1/s1
SMILES [C@H]1([C@H](C([C@@H]2[C@](C1)([C@@H](C(=CC2)C)CCC(=O)C)C)(C)C)OC(=O)/C(=C\C)/C)O[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)C)OC(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis pingraea Ref.
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OrganismBaccharis pingraea
ReferenceZdero,Phytochem.,25,(1986),2841