input word = C00003664

Metabolite InformationStructural formula
Name Podecdysone B
Formula C27H42O6
Mw 462.29813907
CAS RN 22612-27-7
C_ID C00003664 ,
InChIKey AEFMTBQZWMUASH-PMJZNYMYNA-N
InChICode InChI=1S/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,18,20-23,29-33H,7-14H2,1-5H3/t18-,20+,21-,22-,23+,25-,26+,27+/m0/s1
SMILES [C@H]1([C@@H](C[C@@H]2[C@](C1)(C1=C(CC2=O)C2=CC[C@@H]([C@]2(CC1)C)[C@]([C@@H](CCC(C)(C)O)O)(O)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePodocarpaceaePodocarpus sp. Ref.
PlantaePodocarpaceaePodocarpus spp. Ref.
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OrganismPodocarpus sp.
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)