input word = C00046249

Metabolite InformationStructural formula
Name Orbiculin F
(+)-Orbiculin F
Formula C34H36O11
Mw 620.22576199
CAS RN 227450-70-6
C_ID C00046249 ,
InChIKey BRLFNCXCWAFVFC-BDZHZPNYNA-N
InChICode InChI=1S/C34H36O11/c1-19-15-25(42-30(37)22-11-13-39-17-22)28(41-20(2)35)33(5)26(43-29(36)21-9-7-6-8-10-21)16-24-27(34(19,33)45-32(24,3)4)44-31(38)23-12-14-40-18-23/h6-14,17-19,24-28H,15-16H2,1-5H3/t19-,24-,25+,26+,27-,28+,33-,34-/m1/s1
SMILES C1[C@H]2C(O[C@@]3([C@]([C@H]1OC(=O)c1ccccc1)([C@H]([C@H](C[C@H]3C)OC(=O)c1cocc1)OC(=O)C)C)[C@@H]2OC(=O)c1cocc1)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus orbiculatus Ref.
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