input word = C00045204

Metabolite InformationStructural formula
Name Adenanthin D
(+)-Adenanthin D
Formula C28H40O9
Mw 520.26723288
CAS RN 454703-11-8
C_ID C00045204 ,
InChIKey VJFGJFZMXPGVNL-NURLSMHKNA-N
InChICode InChI=1S/C28H40O9/c1-13-18-9-19(34-14(2)29)24-27(8)20(26(6,7)21(33)11-22(27)35-15(3)30)10-23(36-16(4)31)28(24,12-18)25(13)37-17(5)32/h18-25,33H,1,9-12H2,2-8H3/t18-,19+,20-,21+,22+,23+,24+,25-,27+,28+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@]([C@H]1OC(=O)C)([C@H]1[C@@]3([C@H](C2)OC(=O)C)C[C@@H](C[C@@H]1OC(=O)C)C(=C)[C@H]3OC(=O)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon adenantha Ref.
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