input word = C00003469

Metabolite InformationStructural formula
Name Pimelea factor P2
Formula C37H50O9
Mw 638.3454832
CAS RN 66107-37-7
C_ID C00003469 ,
InChIKey IAPHKDDUYAWCMB-MABOCKSRNA-N
InChICode InChI=1S/C37H50O9/c1-20(2)33-18-22(4)37-26-29(33)44-35(45-33,46-37)17-13-8-6-7-10-14-21(3)25-23(5)28(42-31(39)24-15-11-9-12-16-24)36(41,27(25)37)32(40)34(19-38)30(26)43-34/h9,11-12,15-16,21-23,25-30,32,38,40-41H,1,6-8,10,13-14,17-19H2,2-5H3/t21-,22-,23+,25+,26-,27-,28+,29-,30+,32-,33-,34+,35?,36-,37-/m1/s1
SMILES [C@@H]12[C@@]3([C@@H]([C@@]4([C@H]([C@@H]5[C@@]61[C@@H](C[C@]1([C@@H]5O[C@@](O1)(O6)CCCCCCC[C@H]([C@H]2[C@@H]([C@@H]3OC(=O)c1ccccc1)C)C)C(=C)C)C)O4)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphnopsis spp. Ref.
PlantaeThymelaeaceaeDirca occidentalis Ref.
PlantaeThymelaeaceaePimelea spp. Ref.
PlantaeThymelaeaceaeSynaptolepis spp. Ref.
PlantaeThymelaeaceaeWikstroemia retusa Ref.
--family Thymelaeaceae spp. Ref.
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