input word = C00040271

Metabolite InformationStructural formula
Name Seemarin
(+)-Seemarin
Formula C30H40O7
Mw 512.27740363
CAS RN 244179-05-3
C_ID C00040271 ,
InChIKey ODXNUTRLTBMGBO-YCEWEFSKNA-N
InChICode InChI=1S/C30H40O7/c1-12-15-7-9-26(4,33)21-18(22(15)35-24(12)31)14(3)20-19(21)17-11-28(6)29(20)23-16(13(2)25(32)36-23)8-10-27(5,37-28)30(17,29)34/h12-13,15-17,19-23,33-34H,7-11H2,1-6H3/t12-,13-,15-,16-,17+,19-,20-,21+,22-,23-,26-,27-,28-,29-,30+/m0/s1
SMILES [C@]12([C@]34[C@@]([C@@H]([C@H]5[C@@H]3C(=C3[C@H]5[C@@](CC[C@@H]5[C@@H]3OC(=O)[C@H]5C)(C)O)C)C1)([C@](CC[C@@H]1[C@@H]4OC(=O)[C@H]1C)(O2)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne oleoides Ref.
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OrganismDaphne oleoides
ReferenceUllah,Phytochem.,51,(1999),559