input word = C00047080

Metabolite InformationStructural formula
Name Pinfaensin
Formula C36H56O11
Mw 664.38226263
CAS RN 158848-20-5
C_ID C00047080 ,
InChIKey YZANFWDKMDESHV-SVAFLTSKNA-N
InChICode InChI=1S/C36H56O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,17-18,20-29,37,39-43,45H,8-16H2,1-6H3/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,31-,32+,33-,34-,35-,36+/m1/s1
SMILES C1[C@@]2([C@H](C3=CC[C@H]4[C@]([C@@]3(C1)C)(CC[C@@H]1[C@]4(C[C@H]([C@@H]([C@]1(C=O)C)O)O)C)C)[C@]([C@@H](CC2)C)(C)O)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
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OrganismCombretum quadrangulare
ReferenceAdnyana,J.Nat.Prod.,63,(2000),496