input word = C00057127

Metabolite InformationStructural formula
Name 3,4-Seco-4(23),7-multifloradiene-3,29-dioic acid
Formula C30H46O4
Mw 470.33960996
CAS RN 162898-23-9
C_ID C00057127
InChIKey NTFLZJIEKFOVHF-PCFFWJMZSA-N
InChICode InChI=1S/C30H46O4/c1-19(2)20-8-9-22-21(28(20,5)12-11-24(31)32)10-13-30(7)23-18-27(4,25(33)34)15-14-26(23,3)16-17-29(22,30)6/h9,20-21,23H,1,8,10-18H2,2-7H3,(H,31,32)(H,33,34)/t20-,21-,23+,26+,27+,28-,29+,30-/m0/s1
SMILES OC([C@@]1(C)C[C@@]2([H])[C@]3(C)CC[C@]4([H])[C@](CCC(O)=O)(C)[C@H](C(C)=C)CC=C4[C@@]3(C)CC[C@@]2(C)CC1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSandoricum koetjape Ref.
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