input word = C00054743

Metabolite InformationStructural formula
Name 2,3-Dihydro-3beta-methoxyixocarpalactone B
Formula C29H42O9
Mw 534.28288294
CAS RN 626199-74-4
C_ID C00054743
InChIKey FMXASOLJOQKFKS-OOULDRSCSA-N
InChICode InChI=1S/C29H42O9/c1-12-13(2)29(38-23(12)32)24(33)27(5,34)21-17(36-29)10-16-14-9-20-28(37-20)22(31)18(35-6)11-19(30)26(28,4)15(14)7-8-25(16,21)3/h12-18,20-22,24,31,33-34H,7-11H2,1-6H3/t12-,13-,14-,15+,16+,17+,18+,20-,21+,22+,24+,25+,26+,27-,28+,29+/m1/s1
SMILES C[C@@]12[C@](C[C@@]3([H])[C@]2([H])[C@](O)(C)[C@H](O)[C@@]4([C@H](C)[C@@H](C)C(O4)=O)O3)([H])[C@]5([H])C[C@@H]6[C@]([C@@]7(C)[C@@]5([H])CC1)(O6)[C@@H](O)[C@@H](OC)CC7=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis philadelphica Ref.
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