input word = C00003433

Metabolite InformationStructural formula
Name Gniditrin
Daphne factor P1
Formula C37H42O10
Mw 646.27779756
CAS RN 55306-10-0
C_ID C00003433 ,
InChIKey NEIGQRKMHFDLTK-ZEDIUBETNA-N
InChICode InChI=1S/C37H42O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-19,23,25,27,29-32,38,41-42H,2,6-7,20H2,1,3-5H3/b9-8+,11-10+,18-15+/t23-,25-,27-,29-,30+,31-,32-,33+,34-,35+,36+,37-/m1/s1
SMILES [C@@H]12[C@]([C@@H]([C@@]3([C@H]([C@H]4[C@@]51[C@@H]([C@H]([C@]1([C@@H]4O[C@](O1)(O5)c1ccccc1)C(=C)C)OC(=O)/C=C/C=C/C=C/CCC)C)O3)CO)O)(C(=O)C(=C2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne papyracea Ref.
PlantaeThymelaeaceaeDaphne tangutica Ref.
PlantaeThymelaeaceaeGnidia lamprantha Ref.
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OrganismDaphne papyracea
ReferenceW. Dagang et al., Chem. Abs., (1993), 119, 135606.