input word = C00033567

Metabolite InformationStructural formula
Name 4-Epipinfaensin
4-epi-Pinfaensin
Formula C36H56O11
Mw 664.38226263
CAS RN 177413-33-1
C_ID C00033567 ,
InChIKey YZANFWDKMDESHV-CQXLYVMZNA-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 [C@@H]1([C@@H]([C@@]([C@H]2[C@@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@]1(O)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGesneriaceaeAeschynanthus bracteatus Ref.
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OrganismAeschynanthus bracteatus
ReferenceLi,Phytochem.,69,(2008),2200