input word = C00011705

Metabolite InformationStructural formula
Name Pittosporanoside B1
Formula C28H44O7
Mw 492.30870376
CAS RN 126654-58-8
C_ID C00011705 ,
InChIKey CCINNFNVGBXOKP-URJOXYHBNA-N
InChICode InChI=1S/C28H44O7/c1-9-19(6)27(31)35-25-24(30)20(7)32-28(26(25)33-21(8)29)34-23-15-18(5)12-10-11-17(4)13-14-22(23)16(2)3/h9,11,15-16,20,22-26,28,30H,10,12-14H2,1-8H3/b17-11+,18-15+,19-9-/t20-,22+,23+,24+,25+,26-,28+/m1/s1
SMILES C1C/C(=C/[C@@H]([C@@H](CC/C(=C/1)/C)C(C)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)OC(=O)/C(=C\C)/C)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePittosporaceaePittosporum tobira Ref.
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OrganismPittosporum tobira
ReferenceNozaki,Chem.Lett.,(1990),219