input word = C00056550

Metabolite InformationStructural formula
Name 3-Methoxy-2,3-dihydro-4,7-didehydrophysalin B
Formula C29H32O10
Mw 540.19954724
CAS RN 1173241-81-0
C_ID C00056550
InChIKey UKFIOFFQSFYJFW-PDQAFJBESA-N
InChICode InChI=1S/C29H32O10/c1-24-11-19-26(3)29-20(24)21(31)28(39-29,36-12-17(24)22(32)37-19)16-6-5-13-9-14(35-4)10-18(30)25(13,2)15(16)7-8-27(29,34)23(33)38-26/h5-6,9,14-17,19-20,34H,7-8,10-12H2,1-4H3/t14-,15-,16+,17-,19+,20-,24+,25-,26-,27-,28+,29-/m0/s1
SMILES O=C1C[C@@H](OC)C=C([C@@]21C)C=C[C@]3([H])[C@]2([H])CC[C@@]4(O)[C@@]56O[C@]3(C7=O)OC[C@](C(O8)=O)([H])[C@](C)([C@]76[H])C[C@@H]8[C@]5(C)OC4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis alkekengi var. franchetii Ref.
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