input word = C00020968

Metabolite InformationStructural formula
Name Anabsin
Formula C30H40O7
Mw 512.27740363
CAS RN 72542-39-3
C_ID C00020968 ,
InChIKey OVZIMEDUADJHPN-QLGHFQPLNA-N
InChICode InChI=1S/C30H40O7/c1-11-14-7-9-27(4,34)20-16(21(14)35-25(11)32)13(3)19-17(20)18-22-28(5)10-8-15-12(2)26(33)36-24(15)30(19,22)29(6,37-28)23(18)31/h11-12,14-15,17-24,31,34H,7-10H2,1-6H3/t11-,12-,14-,15-,17-,18+,19-,20-,21-,22-,23-,24-,27-,28-,29?,30-/m0/s1
SMILES C1[C@@H]2[C@@H](C3=C([C@H]4[C@@H]([C@H]3[C@@](C1)(C)O)[C@H]1[C@@H]([C@@]3([C@@]54[C@@H]1[C@](CC[C@@H]1[C@@H]5OC(=O)[C@H]1C)(O3)C)C)O)C)OC(=O)[C@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia absinthium Ref.
PlantaeAsteraceaeArtemisia caruifolia Ref.
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